Chemical Components in the PDB

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B09 : Summary

Code

B09

One-letter code

X

Molecule name

N-methoxybenzenesulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-methoxybenzenesulfonamide
OpenEye OEToolkits 1.7.2 N-methoxybenzenesulfonamide

Formula

C7 H9 N O3 S

Formal charge

0

Molecular weight

187.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(NOC)c1ccccc1
SMILES CACTVS 3.370 CON[S](=O)(=O)c1ccccc1
SMILES OpenEye OEToolkits 1.7.2 CONS(=O)(=O)c1ccccc1
Canonical SMILES CACTVS 3.370 CON[S](=O)(=O)c1ccccc1
Canonical SMILES OpenEye OEToolkits 1.7.2 CONS(=O)(=O)c1ccccc1

IUPAC InChI

InChI=1S/C7H9NO3S/c1-11-8-12(9,10)7-5-3-2-4-6-7/h2-6,8H,1H3

IUPAC InChI key

ARFKGONNPZNFOM-UHFFFAOYSA-N
B09

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-08-02

Last modified at

2012-06-15

Status

Released

Obsoleted

Not Assigned