4-[[4-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-(4-cyanophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(4-cyanophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(4-cyanophenyl)sulfonylisonipecotoyl]piperazino]methyl]benzonitrile Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H27N5O3S/c26-17-20-1-3-22(4-2-20)19-28-13-15-29(16-14-28)25(31)23-9-11-30(12-10-23)34(32,33)24-7-5-21(18-27)6-8-24/h1-8,23H,9-16,19H2