[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)cinchoninic acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C32H24BrNO7S MolecularWeight: 646.50446

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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=C(C=C4)Br)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=C(C=C4)Br)C5=CC=C(C=C5)OC

InChI

InChI=1S/C32H24BrNO7S/c1-20-3-14-26(15-4-20)42(37,38)41-25-12-7-22(8-13-25)31(35)19-40-32(36)28-18-30(21-5-10-24(39-2)11-6-21)34-29-16-9-23(33)17-27(28)29/h3-18H,19H2,1-2H3