[1-(2,2-diphenylethyl)piperidin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-(2,2-diphenylethyl)piperidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-(2,2-diphenylethyl)-3-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(2,2-diphenylethyl)-3-piperidinyl]methyl ester IUPAC Name: [1-(2,2-diphenylethyl)piperidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(2,2-diphenylethyl)-3-piperidyl]methyl ester Formula: C27H31NO3S MolecularWeight: 449.60494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCN(C2)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCN(C2)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31NO3S/c1-22-14-16-26(17-15-22)32(29,30)31-21-23-9-8-18-28(19-23)20-27(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-7,10-17,23,27H,8-9,18-21H2,1H3