Chemical Components in the PDB

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Z88 : Summary

Code

Z88

One-letter code

X

Molecule name

N-[(4-bromophenyl)sulfonyl]acetamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 N-(4-bromophenyl)sulfonylethanamide

Formula

C8 H8 Br N O3 S

Formal charge

0

Molecular weight

278.123 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 CC(=O)N[S](=O)(=O)c1ccc(Br)cc1
SMILES OpenEye OEToolkits 1.7.0 CC(=O)NS(=O)(=O)c1ccc(cc1)Br
Canonical SMILES CACTVS 3.352 CC(=O)N[S](=O)(=O)c1ccc(Br)cc1
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(=O)NS(=O)(=O)c1ccc(cc1)Br

IUPAC InChI

InChI=1S/C8H8BrNO3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)

IUPAC InChI key

GUSSBUVTIMQOBB-UHFFFAOYSA-N
Z88

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-01-24

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned