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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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