2-[[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[1-(2-mesylbenzyl)-4-piperidyl]piperazino]methyl]benzonitrile Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCN(CC3)CC4=CC=CC=C4C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCN(CC3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C25H32N4O2S/c1-32(30,31)25-9-5-4-8-23(25)20-27-12-10-24(11-13-27)29-16-14-28(15-17-29)19-22-7-3-2-6-21(22)18-26/h2-9,24H,10-17,19-20H2,1H3