Chemical Components in the PDB

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6YP : Summary

Code

6YP

One-letter code

X

Molecule name

4-butylbenzenesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 4-butylbenzenesulfonamide

Formula

C10 H15 N O2 S

Formal charge

0

Molecular weight

213.297 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCc1ccc(cc1)[S](N)(=O)=O
SMILES OpenEye OEToolkits 2.0.5 CCCCc1ccc(cc1)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 CCCCc1ccc(cc1)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.5 CCCCc1ccc(cc1)S(=O)(=O)N

IUPAC InChI

InChI=1S/C10H15NO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3,(H2,11,12,13)

IUPAC InChI key

IWEMSJAOIKQBBZ-UHFFFAOYSA-N
6YP

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-07-27

Last modified at

2017-08-11

Status

Released

Obsoleted

Not Assigned