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RMU : Summary
Code
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RMU
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One-letter code
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X
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Molecule name
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4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide
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Systematic names
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Formula
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C12 H9 Cl N4 O4 S
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Formal charge
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0
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Molecular weight
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340.742 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=S(=O)(Nc1cc(C#N)c(Cl)nc1)c1cc(oc1C)C(N)=O |
SMILES
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CACTVS |
3.385 |
Cc1oc(cc1[S](=O)(=O)Nc2cnc(Cl)c(c2)C#N)C(N)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1c(cc(o1)C(=O)N)S(=O)(=O)Nc2cc(c(nc2)Cl)C#N |
Canonical SMILES
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CACTVS |
3.385 |
Cc1oc(cc1[S](=O)(=O)Nc2cnc(Cl)c(c2)C#N)C(N)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1c(cc(o1)C(=O)N)S(=O)(=O)Nc2cc(c(nc2)Cl)C#N |
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IUPAC InChI | InChI=1S/C12H9ClN4O4S/c1-6-10(3-9(21-6)12(15)18)22(19,20)17-8-2-7(4-14)11(13)16-5-8/h2-3,5,17H,1H3,(H2,15,18) |
IUPAC InChI key | WARQQVLLUYXXAU-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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31 (22 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2022-06-23
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Last modified at
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2022-07-01
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Status
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Released
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Obsoleted
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Not Assigned
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