ethyl 6-fluoranyl-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-1-(4-phenylmethoxyphenyl)quinoline-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-1-(4-phenylmethoxyphenyl)quinoline-3-carboxylate Openeye Name: ethyl 1-(4-benzyloxyphenyl)-6-fluoro-8-methyl-4-oxo-7-[2-(p-tolylsulfonyl)isoindolin-5-yl]quinoline-3-carboxylate CAS Name: 6-fluoro-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-1-(4-phenylmethoxyphenyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-1-(4-phenylmethoxyphenyl)quinoline-3-carboxylate Traditional Name: 1-(4-benzoxyphenyl)-6-fluoro-4-keto-8-methyl-7-(2-tosylisoindolin-5-yl)quinoline-3-carboxylic acid ethyl ester Formula: C41H35FN2O6S MolecularWeight: 702.789803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C=C3)C)C6=CC=C(C=C6)OCC7=CC=CC=C7

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C=C3)C)C6=CC=C(C=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C41H35FN2O6S/c1-4-49-41(46)36-24-44(32-14-16-33(17-15-32)50-25-28-8-6-5-7-9-28)39-27(3)38(37(42)21-35(39)40(36)45)29-12-13-30-22-43(23-31(30)20-29)51(47,48)34-18-10-26(2)11-19-34/h5-21,24H,4,22-23,25H2,1-3H3