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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 8-chloranyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 8-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 8-chloro-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 8-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 8-chloro-2-(4-methoxyphenyl)cinchoninic acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C32H24ClNO7S MolecularWeight: 602.05346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=C(C=C5)OC

InChI

InChI=1S/C32H24ClNO7S/c1-20-6-16-25(17-7-20)42(37,38)41-24-14-10-22(11-15-24)30(35)19-40-32(36)27-18-29(21-8-12-23(39-2)13-9-21)34-31-26(27)4-3-5-28(31)33/h3-18H,19H2,1-2H3