[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(phenylmethyl)sulfonylamino]benzoate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(phenylmethyl)sulfonylamino]benzoate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 3-(benzylsulfonylamino)benzoate CAS Name: 3-[(phenylmethyl)sulfonylamino]benzoic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 3-(benzylsulfonylamino)benzoate Traditional Name: 3-(benzylsulfonylamino)benzoic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5S/c1-17-9-6-7-14-22(17)25-23(27)18(2)31-24(28)20-12-8-13-21(15-20)26-32(29,30)16-19-10-4-3-5-11-19/h3-5,8,10-13,15,17-18,22,26H,6-7,9,14,16H2,1-2H3,(H,25,27)