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- ChemComp-BS4: N-[(4-aminophenyl)sulfonyl]benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: BS4
NameName: N-[(4-aminophenyl)sulfonyl]benzamide
Commentantibiotic, Antimicrobial*YM

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Chemical information

Composition
Formula: C13H12N2O3S / Number of atoms: 31 / Formula weight: 276.311 / Formal charge: 0
Others

3rcf

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BS4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3RCF
History
Create componentApr 1, 2011
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=S(=O)(NC(=O)c1ccccc1)c2ccc(N)cc2
CACTVS 3.370Nc1ccc(cc1)[S](=O)(=O)NC(=O)c2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N

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SMILES CANONICAL

CACTVS 3.370Nc1ccc(cc1)[S](=O)(=O)NC(=O)c2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N

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InChI

InChI 1.03InChI=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)

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InChIKey

InChI 1.03PBCZLFBEBARBBI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[(4-aminophenyl)sulfonyl]benzamide
OpenEye OEToolkits 1.7.0N-(4-aminophenyl)sulfonylbenzamide

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PDB entries

Showing all 1 items

PDB-3rcf:
Human cyclophilin D complexed with N-[(4-aminophenyl)sulfonyl]benzamide

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