3-[[4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(2-chlorophenyl)sulfonylpiperazino]piperidino]methyl]benzonitrile Formula: C23H27ClN4O2S MolecularWeight: 459.00408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H27ClN4O2S/c24-22-6-1-2-7-23(22)31(29,30)28-14-12-27(13-15-28)21-8-10-26(11-9-21)18-20-5-3-4-19(16-20)17-25/h1-7,16,21H,8-15,18H2