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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-2-(4-ethylphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 6-bromo-2-(4-ethylphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-ethylphenyl)-4-quinolinecarboxylic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 6-bromo-2-(4-ethylphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-ethylphenyl)cinchoninic acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C33H26BrNO6S MolecularWeight: 644.53164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C33H26BrNO6S/c1-3-22-6-8-23(9-7-22)31-19-29(28-18-25(34)12-17-30(28)35-31)33(37)40-20-32(36)24-10-13-26(14-11-24)41-42(38,39)27-15-4-21(2)5-16-27/h4-19H,3,20H2,1-2H3