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BS4 : Summary
Code ![](/pdbe/static/images/help.png)
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BS4
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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-[(4-aminophenyl)sulfonyl]benzamide
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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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C13 H12 N2 O3 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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276.311 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 |
O=S(=O)(NC(=O)c1ccccc1)c2ccc(N)cc2 |
SMILES
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CACTVS |
3.370 |
Nc1ccc(cc1)[S](=O)(=O)NC(=O)c2ccccc2 |
SMILES
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OpenEye OEToolkits |
1.7.0 |
c1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N |
Canonical SMILES
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CACTVS |
3.370 |
Nc1ccc(cc1)[S](=O)(=O)NC(=O)c2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
c1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PBCZLFBEBARBBI-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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31 (19 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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2011-04-01
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Last modified at ![](/pdbe/static/images/help.png)
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2012-03-16
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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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