4-[[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-[4-(2-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl]thio]methyl]benzonitrile Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3O3S2/c21-18-3-1-2-4-19(18)29(26,27)24-11-9-23(10-12-24)20(25)15-28-14-17-7-5-16(13-22)6-8-17/h1-8H,9-12,14-15H2