[1-[1-(dimethylamino)propan-2-yl]-2-phenyl-cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [1-[1-(dimethylamino)propan-2-yl]-2-phenyl-cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [1-[2-(dimethylamino)-1-methyl-ethyl]-2-phenyl-cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[1-(dimethylamino)propan-2-yl]-2-phenylcyclohexyl] ester IUPAC Name: [1-[1-(dimethylamino)propan-2-yl]-2-phenylcyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[2-(dimethylamino)-1-methyl-ethyl]-2-phenyl-cyclohexyl] ester Formula: C24H33NO3S MolecularWeight: 415.58872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2(CCCCC2C3=CC=CC=C3)C(C)CN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2(CCCCC2C3=CC=CC=C3)C(C)CN(C)C

InChI

InChI=1S/C24H33NO3S/c1-19-13-15-22(16-14-19)29(26,27)28-24(20(2)18-25(3)4)17-9-8-12-23(24)21-10-6-5-7-11-21/h5-7,10-11,13-16,20,23H,8-9,12,17-18H2,1-4H3