[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 2-[(4-azanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-[(4-amino-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[(4-amino-3-nitro-phenyl)sulfonylamino]acetic acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C17H19N5O9S2 MolecularWeight: 501.49086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O9S2/c1-10(17(24)21-11-2-4-12(5-3-11)32(19,27)28)31-16(23)9-20-33(29,30)13-6-7-14(18)15(8-13)22(25)26/h2-8,10,20H,9,18H2,1H3,(H,21,24)(H2,19,27,28)