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

Systemtic Name: [1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-keto-1-methyl-2-(3-sulfamoylanilino)ethyl] ester Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C26H23N3O5S/c1-16-10-12-18(13-11-16)24-15-22(21-8-3-4-9-23(21)29-24)26(31)34-17(2)25(30)28-19-6-5-7-20(14-19)35(27,32)33/h3-15,17H,1-2H3,(H,28,30)(H2,27,32,33)