3-[[4-[4-(4-methylsulfonylphenyl)carbonylpiperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(4-methylsulfonylphenyl)carbonylpiperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-[(4-methylsulfonylphenyl)-oxomethyl]-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-(4-mesylbenzoyl)piperazino]piperidino]methyl]benzonitrile Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H30N4O3S/c1-33(31,32)24-7-5-22(6-8-24)25(30)29-15-13-28(14-16-29)23-9-11-27(12-10-23)19-21-4-2-3-20(17-21)18-26/h2-8,17,23H,9-16,19H2,1H3