Chemical Components in the PDB

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RZ0 : Summary

Code

RZ0

One-letter code

X

Molecule name

N-butyl-4-sulfamoylbenzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-butyl-4-sulfamoylbenzamide
OpenEye OEToolkits 1.7.2 N-butyl-4-sulfamoyl-benzamide

Formula

C11 H16 N2 O3 S

Formal charge

0

Molecular weight

256.321 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(N)c1ccc(C(=O)NCCCC)cc1
SMILES CACTVS 3.370 CCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
SMILES OpenEye OEToolkits 1.7.2 CCCCNC(=O)c1ccc(cc1)S(=O)(=O)N
Canonical SMILES CACTVS 3.370 CCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 1.7.2 CCCCNC(=O)c1ccc(cc1)S(=O)(=O)N

IUPAC InChI

InChI=1S/C11H16N2O3S/c1-2-3-8-13-11(14)9-4-6-10(7-5-9)17(12,15)16/h4-7H,2-3,8H2,1H3,(H,13,14)(H2,12,15,16)

IUPAC InChI key

QBMVMGJMEIVTPO-UHFFFAOYSA-N
RZ0

wwPDB Information

Atom count

33 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-05-16

Last modified at

2011-08-05

Status

Released

Obsoleted

Not Assigned