butyl 4-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]benzoate

Systemtic Name: butyl 4-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]benzoate Openeye Name: butyl 4-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]benzoate CAS Name: 4-[[3-(2-nitro-4-sulfamoylanilino)-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(2-nitro-4-sulfamoylanilino)propanoylamino]benzoate Traditional Name: 4-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]benzoic acid butyl ester Formula: C20H24N4O7S MolecularWeight: 464.49216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O7S/c1-2-3-12-31-20(26)14-4-6-15(7-5-14)23-19(25)10-11-22-17-9-8-16(32(21,29)30)13-18(17)24(27)28/h4-9,13,22H,2-3,10-12H2,1H3,(H,23,25)(H2,21,29,30)