3-[[4-[4-[2-(phenylsulfonyl)ethyl]piperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-[2-(phenylsulfonyl)ethyl]piperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-[2-(benzenesulfonyl)ethyl]-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(2-besylethyl)piperazino]piperidino]methyl]benzonitrile Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O2S/c26-20-22-5-4-6-23(19-22)21-28-11-9-24(10-12-28)29-15-13-27(14-16-29)17-18-32(30,31)25-7-2-1-3-8-25/h1-8,19,24H,9-18,21H2