Chemical Components in the PDB

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V1K : Summary

Code

V1K

One-letter code

X

Molecule name

2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole

Formula

C15 H13 Cl N2 O3 S

Formal charge

0

Molecular weight

336.793 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1ccc2nc(Cl)n(c2c1)[S](=O)(=O)c3ccc(C)cc3
SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1)S(=O)(=O)n2c3cc(ccc3nc2Cl)OC
Canonical SMILES CACTVS 3.385 COc1ccc2nc(Cl)n(c2c1)[S](=O)(=O)c3ccc(C)cc3
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(cc1)S(=O)(=O)n2c3cc(ccc3nc2Cl)OC

IUPAC InChI

InChI=1S/C15H13ClN2O3S/c1-10-3-6-12(7-4-10)22(19,20)18-14-9-11(21-2)5-8-13(14)17-15(18)16/h3-9H,1-2H3

IUPAC InChI key

WYUZKMIXXDZEOS-UHFFFAOYSA-N
V1K

wwPDB Information

Atom count

35 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-04-06

Last modified at

2021-06-04

Status

Released

Obsoleted

Not Assigned