3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2,2-diphenyl-propanenitrile

Systemtic Name: 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2,2-diphenyl-propanenitrile Openeye Name: 2,2-diphenyl-3-[1-(p-tolylsulfonyl)-4-piperidyl]propanenitrile CAS Name: 3-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-2,2-diphenylpropanenitrile IUPAC Name: 3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2,2-diphenylpropanenitrile Traditional Name: 2,2-diphenyl-3-(1-tosyl-4-piperidyl)propionitrile Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2S/c1-22-12-14-26(15-13-22)32(30,31)29-18-16-23(17-19-29)20-27(21-28,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,23H,16-20H2,1H3