Chemical Components in the PDB

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BS4 : Summary

Code

BS4

One-letter code

X

Molecule name

N-[(4-aminophenyl)sulfonyl]benzamide

Systematic names

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

Formula

C13 H12 N2 O3 S

Formal charge

0

Molecular weight

276.311 Da

SMILES

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

IUPAC InChI

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

PBCZLFBEBARBBI-UHFFFAOYSA-N
BS4

wwPDB Information

Atom count

31 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-04-01

Last modified at

2012-03-16

Status

Released

Obsoleted

Not Assigned