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95G : Summary
Code ![](/pdbe/static/images/help.png)
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95G
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonamide
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C14 H10 Br Cl2 N5 O4 S2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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527.2 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c2(Oc1c(c(Cl)nn1C)Cl)ccc(cc2)S(NC(=O)Nc3sc(cn3)Br)(=O)=O |
SMILES
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CACTVS |
3.385 |
Cn1nc(Cl)c(Cl)c1Oc2ccc(cc2)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cn1c(c(c(n1)Cl)Cl)Oc2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br |
Canonical SMILES
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CACTVS |
3.385 |
Cn1nc(Cl)c(Cl)c1Oc2ccc(cc2)[S](=O)(=O)NC(=O)Nc3sc(Br)cn3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cn1c(c(c(n1)Cl)Cl)Oc2ccc(cc2)S(=O)(=O)NC(=O)Nc3ncc(s3)Br |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H10BrCl2N5O4S2/c1-22-12(10(16)11(17)20-22)26-7-2-4-8(5-3-7)28(24,25)21-13(23)19-14-18-6-9(15)27-14/h2-6H,1H3,(H2,18,19,21,23) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PRZBYMWCBKOTJZ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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38 (28 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2017-04-03
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Last modified at ![](/pdbe/static/images/help.png)
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2019-01-04
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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