[2-[2-(dimethylamino)phenyl]cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[2-(dimethylamino)phenyl]cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [2-[2-(dimethylamino)phenyl]cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[2-(dimethylamino)phenyl]cyclohexyl] ester IUPAC Name: [2-[2-(dimethylamino)phenyl]cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[2-(dimethylamino)phenyl]cyclohexyl] ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2C3=CC=CC=C3N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2C3=CC=CC=C3N(C)C

InChI

InChI=1S/C21H27NO3S/c1-16-12-14-17(15-13-16)26(23,24)25-21-11-7-5-9-19(21)18-8-4-6-10-20(18)22(2)3/h4,6,8,10,12-15,19,21H,5,7,9,11H2,1-3H3