methyl 5-nitro-2-[2-(4-sulfamoylphenyl)ethylamino]benzoate

Systemtic Name: methyl 5-nitro-2-[2-(4-sulfamoylphenyl)ethylamino]benzoate Openeye Name: methyl 5-nitro-2-[2-(4-sulfamoylphenyl)ethylamino]benzoate CAS Name: 5-nitro-2-[2-(4-sulfamoylphenyl)ethylamino]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[2-(4-sulfamoylphenyl)ethylamino]benzoate Traditional Name: 5-nitro-2-[2-(4-sulfamoylphenyl)ethylamino]benzoic acid methyl ester Formula: C16H17N3O6S MolecularWeight: 379.38768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C16H17N3O6S/c1-25-16(20)14-10-12(19(21)22)4-7-15(14)18-9-8-11-2-5-13(6-3-11)26(17,23)24/h2-7,10,18H,8-9H2,1H3,(H2,17,23,24)