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

Systemtic Name: [4-methyl-4-[[(2-methylphenyl)carbonylamino]methyl]cyclohexyl] benzenesulfonate Openeye Name: [4-methyl-4-[[(2-methylbenzoyl)amino]methyl]cyclohexyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-methyl-4-[[[(2-methylphenyl)-oxomethyl]amino]methyl]cyclohexyl] ester IUPAC Name: [4-methyl-4-[[(2-methylbenzoyl)amino]methyl]cyclohexyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-methyl-4-[(o-toluoylamino)methyl]cyclohexyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-17-8-6-7-11-20(17)21(24)23-16-22(2)14-12-18(13-15-22)27-28(25,26)19-9-4-3-5-10-19/h3-11,18H,12-16H2,1-2H3,(H,23,24)