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

Systemtic Name: 3-[[4-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-(3-cyanophenyl)sulfonyl-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(3-cyanophenyl)sulfonylpiperazino]piperidino]methyl]benzonitrile Formula: C24H27N5O2S MolecularWeight: 449.56848

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2S/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