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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 6-bromo-8-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-methyl-2-phenyl-4-quinolinecarboxylic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 6-bromo-8-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-8-methyl-2-phenyl-cinchoninic acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C32H24BrNO6S MolecularWeight: 630.50506

Click to see the large picture

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=CC=C5

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=CC=C5

InChI

InChI=1S/C32H24BrNO6S/c1-20-8-14-26(15-9-20)41(37,38)40-25-12-10-23(11-13-25)30(35)19-39-32(36)28-18-29(22-6-4-3-5-7-22)34-31-21(2)16-24(33)17-27(28)31/h3-18H,19H2,1-2H3