4-[[4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-mesitylsulfonylisonipecotoyl)piperazino]methyl]benzonitrile Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O3S/c1-20-16-21(2)26(22(3)17-20)35(33,34)31-10-8-25(9-11-31)27(32)30-14-12-29(13-15-30)19-24-6-4-23(18-28)5-7-24/h4-7,16-17,25H,8-15,19H2,1-3H3