3-[[4-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[[4-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[[4-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]-1-piperidyl]methyl]benzonitrile hydrochloride CAS Name: 3-[[4-[4-(3-cyanophenyl)sulfonyl-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile hydrochloride IUPAC Name: 3-[[4-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzonitrile hydrochloride Traditional Name: 3-[[4-[4-(3-cyanophenyl)sulfonylpiperazino]piperidino]methyl]benzonitrile hydrochloride Formula: C24H28ClN5O2S MolecularWeight: 486.02942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2S.ClH/c25-17-20-3-1-5-22(15-20)19-27-9-7-23(8-10-27)28-11-13-29(14-12-28)32(30,31)24-6-2-4-21(16-24)18-26;/h1-6,15-16,23H,7-14,19H2;1H