[4-cyano-1-(phenylmethyl)piperidin-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-cyano-1-(phenylmethyl)piperidin-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: (1-benzyl-4-cyano-4-piperidyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-cyano-1-(phenylmethyl)-4-piperidinyl]methyl ester IUPAC Name: (1-benzyl-4-cyanopiperidin-4-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-benzyl-4-cyano-4-piperidyl)methyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCN(CC2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCN(CC2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H24N2O3S/c1-18-7-9-20(10-8-18)27(24,25)26-17-21(16-22)11-13-23(14-12-21)15-19-5-3-2-4-6-19/h2-10H,11-15,17H2,1H3