[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C16H16ClN3O5S MolecularWeight: 397.83334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=CN=C(C=C2)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=CN=C(C=C2)Cl)S(=O)(=O)N

InChI

InChI=1S/C16H16ClN3O5S/c17-14-6-3-12(9-20-14)16(22)25-10-15(21)19-8-7-11-1-4-13(5-2-11)26(18,23)24/h1-6,9H,7-8,10H2,(H,19,21)(H2,18,23,24)