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

Systemtic Name: methyl 4-methyl-3-[3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]benzoate CAS Name: 4-methyl-3-[[3-(2-nitro-4-sulfamoylanilino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[3-(2-nitro-4-sulfamoylanilino)propanoylamino]benzoate Traditional Name: 4-methyl-3-[3-(2-nitro-4-sulfamoyl-anilino)propanoylamino]benzoic acid methyl ester Formula: C18H20N4O7S MolecularWeight: 436.439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O7S/c1-11-3-4-12(18(24)29-2)9-15(11)21-17(23)7-8-20-14-6-5-13(30(19,27)28)10-16(14)22(25)26/h3-6,9-10,20H,7-8H2,1-2H3,(H,21,23)(H2,19,27,28)