2-[2-cyclopropyl-1-[4-(4-methylphenyl)sulfonylsulfanylpiperidin-1-yl]-2-oxidanylidene-ethyl]benzenecarbonitrile

Systemtic Name: 2-[2-cyclopropyl-1-[4-(4-methylphenyl)sulfonylsulfanylpiperidin-1-yl]-2-oxidanylidene-ethyl]benzenecarbonitrile Openeye Name: 2-[2-cyclopropyl-2-oxo-1-[4-(p-tolylsulfonylsulfanyl)-1-piperidyl]ethyl]benzonitrile CAS Name: 2-[2-cyclopropyl-1-[4-[(4-methylphenyl)sulfonylthio]-1-piperidinyl]-2-oxoethyl]benzonitrile IUPAC Name: 2-[2-cyclopropyl-1-[4-(4-methylphenyl)sulfonylsulfanylpiperidin-1-yl]-2-oxoethyl]benzonitrile Traditional Name: 2-[2-cyclopropyl-2-keto-1-[4-(tosylthio)piperidino]ethyl]benzonitrile Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2CCN(CC2)C(C3=CC=CC=C3C#N)C(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2CCN(CC2)C(C3=CC=CC=C3C#N)C(=O)C4CC4

InChI

InChI=1S/C24H26N2O3S2/c1-17-6-10-21(11-7-17)31(28,29)30-20-12-14-26(15-13-20)23(24(27)18-8-9-18)22-5-3-2-4-19(22)16-25/h2-7,10-11,18,20,23H,8-9,12-15H2,1H3