[(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C17H17N3O7S MolecularWeight: 407.39778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O7S/c1-10-3-4-12(9-15(10)20(23)24)17(22)27-11(2)16(21)19-13-5-7-14(8-6-13)28(18,25)26/h3-9,11H,1-2H3,(H,19,21)(H2,18,25,26)/t11-/m0/s1