[4-methyl-4-[[(2-methylphenyl)carbonylamino]methyl]cyclohexyl] phenylmethanesulfonate

Systemtic Name: [4-methyl-4-[[(2-methylphenyl)carbonylamino]methyl]cyclohexyl] phenylmethanesulfonate Openeye Name: [4-methyl-4-[[(2-methylbenzoyl)amino]methyl]cyclohexyl] phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid [4-methyl-4-[[[(2-methylphenyl)-oxomethyl]amino]methyl]cyclohexyl] ester IUPAC Name: [4-methyl-4-[[(2-methylbenzoyl)amino]methyl]cyclohexyl] phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid [4-methyl-4-[(o-toluoylamino)methyl]cyclohexyl] ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC2(CCC(CC2)OS(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCC2(CCC(CC2)OS(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H29NO4S/c1-18-8-6-7-11-21(18)22(25)24-17-23(2)14-12-20(13-15-23)28-29(26,27)16-19-9-4-3-5-10-19/h3-11,20H,12-17H2,1-2H3,(H,24,25)