3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]sulfonylbenzonitrile Formula: C24H22ClN3O2S MolecularWeight: 451.96838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H22ClN3O2S/c25-22-11-9-21(10-12-22)24(20-6-2-1-3-7-20)27-13-15-28(16-14-27)31(29,30)23-8-4-5-19(17-23)18-26/h1-12,17,24H,13-16H2