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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C

InChI

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