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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 6-bromo-8-ethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-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-ethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-phenyl-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=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)C

InChI

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