[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methoxyphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-methoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 6-bromo-2-(4-methoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-8-methyl-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)-8-methylquinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)-8-methyl-cinchoninic acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C33H26BrNO7S MolecularWeight: 660.53104

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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=C(C=C(C=C34)Br)C)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=C(C=C(C=C34)Br)C)C5=CC=C(C=C5)OC

InChI

InChI=1S/C33H26BrNO7S/c1-20-4-14-27(15-5-20)43(38,39)42-26-12-8-23(9-13-26)31(36)19-41-33(37)29-18-30(22-6-10-25(40-3)11-7-22)35-32-21(2)16-24(34)17-28(29)32/h4-18H,19H2,1-3H3