[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C18H20N4O8S MolecularWeight: 452.4384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C18H20N4O8S/c1-11(17(24)21-12-2-5-14(6-3-12)31(19,28)29)30-18(25)15-10-13(22(26)27)4-7-16(15)20-8-9-23/h2-7,10-11,20,23H,8-9H2,1H3,(H,21,24)(H2,19,28,29)