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

Systemtic Name: 4-[[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-tosylisonipecotoyl)piperazino]methyl]benzonitrile Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

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