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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H26N2O5S/c1-5-12-22-20(24)16(4)28-21(25)17-7-9-18(10-8-17)23-29(26,27)19-11-6-14(2)15(3)13-19/h6-11,13,16,23H,5,12H2,1-4H3,(H,22,24)/t16-/m0/s1