Chemical Components in the PDB

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L9B : Summary

Code

L9B

One-letter code

X

Molecule name

4-(4-oxidanylbutyl)benzenesulfonamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-(4-oxidanylbutyl)benzenesulfonamide

Formula

C10 H15 N O3 S

Formal charge

0

Molecular weight

229.296 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(CCCCO)cc1
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1CCCCO)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(CCCCO)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1CCCCO)S(=O)(=O)N

IUPAC InChI

InChI=1S/C10H15NO3S/c11-15(13,14)10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2,(H2,11,13,14)

IUPAC InChI key

NCRQTZXHMKBWLU-UHFFFAOYSA-N
L9B

wwPDB Information

Atom count

30 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-30

Last modified at

2020-08-21

Status

Released

Obsoleted

Not Assigned