[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [(1R)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H23N3O5S/c1-4-18-13(2)20(17-7-5-6-8-19(17)25-18)22(27)30-14(3)21(26)24-15-9-11-16(12-10-15)31(23,28)29/h5-12,14H,4H2,1-3H3,(H,24,26)(H2,23,28,29)/t14-/m1/s1