Chemical Components in the PDB

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SAB : Summary

Code

SAB

One-letter code

X

Molecule name

4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE

Systematic names

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

Formula

C11 H17 N3 O3 S

Formal charge

0

Molecular weight

271.336 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(N)c1ccc(C(=O)NCCCCN)cc1
SMILES CACTVS 3.341 NCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N
Canonical SMILES CACTVS 3.341 NCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N

IUPAC InChI

InChI=1S/C11H17N3O3S/c12-7-1-2-8-14-11(15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17)

IUPAC InChI key

ZDYFRIZTYRFPJC-UHFFFAOYSA-N
SAB

wwPDB Information

Atom count

35 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned