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

Systemtic Name: [2-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-[4-methyl-3-(methylsulfamoyl)anilino]ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)NC

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)NC

InChI

InChI=1S/C20H19N3O5S/c1-13-7-9-15(11-18(13)29(26,27)21-2)22-19(24)12-28-20(25)17-10-8-14-5-3-4-6-16(14)23-17/h3-11,21H,12H2,1-2H3,(H,22,24)