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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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