[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 6-bromo-3,8-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-bromo-3,8-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 6-bromo-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-3,8-dimethyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C34H28BrNO6S MolecularWeight: 658.55822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2C)C(=O)OCC(=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3C(=C2C)C(=O)OCC(=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C)Br)C

InChI

InChI=1S/C34H28BrNO6S/c1-20-5-9-25(10-6-20)33-23(4)31(29-18-26(35)17-22(3)32(29)36-33)34(38)41-19-30(37)24-11-13-27(14-12-24)42-43(39,40)28-15-7-21(2)8-16-28/h5-18H,19H2,1-4H3