[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H21N3O5S/c1-3-17-13(2)20(16-6-4-5-7-18(16)24-17)21(26)29-12-19(25)23-14-8-10-15(11-9-14)30(22,27)28/h4-11H,3,12H2,1-2H3,(H,23,25)(H2,22,27,28)