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FHK : Summary
Code ![](/pdbe/static/images/help.png)
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FHK
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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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4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid
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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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C21 H14 N2 O6 S
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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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422.411 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
OC(=O)c1ccc(N[S](=O)(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(=O)Nc4ccc(cc4)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC(=O)c1ccc(N[S](=O)(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(=O)Nc4ccc(cc4)C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C21H14N2O6S/c24-19-17-3-1-2-4-18(17)20(25)23(19)15-9-11-16(12-10-15)30(28,29)22-14-7-5-13(6-8-14)21(26)27/h1-12,22H,(H,26,27) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | KCHARURJHJMOQX-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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44 (30 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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2018-07-06
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Last modified at ![](/pdbe/static/images/help.png)
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2019-05-30
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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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