[(2R)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [(1R)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid [(1R)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)NC(C)C)C

InChI

InChI=1S/C21H26N2O5S/c1-13(2)22-20(24)16(5)28-21(25)17-7-9-18(10-8-17)23-29(26,27)19-11-6-14(3)15(4)12-19/h6-13,16,23H,1-5H3,(H,22,24)/t16-/m1/s1