[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 8-chloranyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 8-chloranyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 8-chloro-3-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 8-chloro-3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 8-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 8-chloro-3-methyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C33H26ClNO6S MolecularWeight: 600.08064

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H26ClNO6S/c1-20-7-11-24(12-8-20)31-22(3)30(27-5-4-6-28(34)32(27)35-31)33(37)40-19-29(36)23-13-15-25(16-14-23)41-42(38,39)26-17-9-21(2)10-18-26/h4-18H,19H2,1-3H3