4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfonylmethyl]benzonitrile CAS Name: 4-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfonylmethyl]benzonitrile Traditional Name: 4-[[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]sulfonylmethyl]benzonitrile Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CS(=O)(=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CS(=O)(=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20ClN3O3S/c21-18-2-1-3-19(12-18)23-8-10-24(11-9-23)20(25)15-28(26,27)14-17-6-4-16(13-22)5-7-17/h1-7,12H,8-11,14-15H2