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

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C26H22N2O5S/c1-17-24(21-10-6-7-11-22(21)28-25(17)18-8-4-3-5-9-18)26(30)33-16-23(29)27-19-12-14-20(15-13-19)34(2,31)32/h3-15H,16H2,1-2H3,(H,27,29)