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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 6-bromo-2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-fluorophenyl)-4-quinolinecarboxylic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 6-bromo-2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-fluorophenyl)cinchoninic acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C31H21BrFNO6S MolecularWeight: 634.468943

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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)F

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)F

InChI

InChI=1S/C31H21BrFNO6S/c1-19-2-13-25(14-3-19)41(37,38)40-24-11-6-21(7-12-24)30(35)18-39-31(36)27-17-29(20-4-9-23(33)10-5-20)34-28-15-8-22(32)16-26(27)28/h2-17H,18H2,1H3