[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 3,8-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3,8-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3,8-dimethyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C34H29NO6S MolecularWeight: 579.66216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=CC=C(C3=N2)C)C(=O)OCC(=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=CC=C(C3=N2)C)C(=O)OCC(=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C)C

InChI

InChI=1S/C34H29NO6S/c1-21-8-12-26(13-9-21)33-24(4)31(29-7-5-6-23(3)32(29)35-33)34(37)40-20-30(36)25-14-16-27(17-15-25)41-42(38,39)28-18-10-22(2)11-19-28/h5-19H,20H2,1-4H3