Chemical Components in the PDB

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VIQ : Summary

Code

VIQ

One-letter code

X

Molecule name

4-METHOXY-2,3,6-TRIMETHYL-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE

Systematic names

ProgramVersionName
ACDLabs 12.01 4-methoxy-2,3,6-trimethyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
OpenEye OEToolkits 1.7.2 4-methoxy-2,3,6-trimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

Formula

C16 H23 N3 O3 S

Formal charge

0

Molecular weight

337.437 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(Nc1c(nn(c1C)C)C)c2c(cc(OC)c(c2C)C)C
SMILES CACTVS 3.370 COc1cc(C)c(c(C)c1C)[S](=O)(=O)Nc2c(C)nn(C)c2C
SMILES OpenEye OEToolkits 1.7.2 Cc1cc(c(c(c1S(=O)(=O)Nc2c(nn(c2C)C)C)C)C)OC
Canonical SMILES CACTVS 3.370 COc1cc(C)c(c(C)c1C)[S](=O)(=O)Nc2c(C)nn(C)c2C
Canonical SMILES OpenEye OEToolkits 1.7.2 Cc1cc(c(c(c1S(=O)(=O)Nc2c(nn(c2C)C)C)C)C)OC

IUPAC InChI

InChI=1S/C16H23N3O3S/c1-9-8-14(22-7)10(2)11(3)16(9)23(20,21)18-15-12(4)17-19(6)13(15)5/h8,18H,1-7H3

IUPAC InChI key

FHWPTZQYVNRXMX-UHFFFAOYSA-N
VIQ

wwPDB Information

Atom count

46 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-09-29

Last modified at

2014-05-02

Status

Released

Obsoleted

Not Assigned