Chemical Components in the PDB

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BSB : Summary

Code

BSB

One-letter code

X

Molecule name

N-BENZYL-4-SULFAMOYL-BENZAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-benzyl-4-sulfamoylbenzamide
OpenEye OEToolkits 1.5.0 N-(phenylmethyl)-4-sulfamoyl-benzamide

Formula

C14 H14 N2 O3 S

Formal charge

0

Molecular weight

290.338 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(N)c2ccc(C(=O)NCc1ccccc1)cc2
SMILES CACTVS 3.341 N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N
Canonical SMILES CACTVS 3.341 N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N

IUPAC InChI

InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)

IUPAC InChI key

CZKNSZUJCJHTTM-UHFFFAOYSA-N
BSB

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-10-30

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned