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

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 6-bromanyl-8-ethyl-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 6-bromo-8-ethyl-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 6-bromo-8-ethyl-2-(4-methoxyphenyl)-3-methyl-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-(4-methoxyphenyl)-3-methylquinoline-4-carboxylate Traditional Name: 6-bromo-8-ethyl-2-(4-methoxyphenyl)-3-methyl-cinchoninic acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C35H30BrNO7S MolecularWeight: 688.5842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H30BrNO7S/c1-5-23-18-26(36)19-30-32(22(3)33(37-34(23)30)25-10-12-27(42-4)13-11-25)35(39)43-20-31(38)24-8-14-28(15-9-24)44-45(40,41)29-16-6-21(2)7-17-29/h6-19H,5,20H2,1-4H3