[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 7-chloranyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethyl] 7-chloranyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyloxy)phenyl]ethyl] 7-chloro-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 7-chloro-3,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 7-chloro-3,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 7-chloro-3,8-dimethyl-2-phenyl-cinchoninic acid [2-keto-2-(4-tosyloxyphenyl)ethyl] ester Formula: C33H26ClNO6S MolecularWeight: 600.08064

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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=C4C=CC(=C(C4=NC(=C3C)C5=CC=CC=C5)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=C4C=CC(=C(C4=NC(=C3C)C5=CC=CC=C5)C)Cl

InChI

InChI=1S/C33H26ClNO6S/c1-20-9-15-26(16-10-20)42(38,39)41-25-13-11-23(12-14-25)29(36)19-40-33(37)30-22(3)31(24-7-5-4-6-8-24)35-32-21(2)28(34)18-17-27(30)32/h4-18H,19H2,1-3H3