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

Systemtic Name: 6-fluoranyl-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-1-(4-phenylmethoxyphenyl)quinoline-3-carboxylic acid Openeye Name: 1-(4-benzyloxyphenyl)-6-fluoro-8-methyl-4-oxo-7-[2-(p-tolylsulfonyl)isoindolin-5-yl]quinoline-3-carboxylic acid CAS Name: 6-fluoro-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-1-(4-phenylmethoxyphenyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-1-(4-phenylmethoxyphenyl)quinoline-3-carboxylic acid Traditional Name: 1-(4-benzoxyphenyl)-6-fluoro-4-keto-8-methyl-7-(2-tosylisoindolin-5-yl)quinoline-3-carboxylic acid Formula: C39H31FN2O6S MolecularWeight: 674.736643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)C=C(C=C3)C4=C(C=C5C(=C4C)N(C=C(C5=O)C(=O)O)C6=CC=C(C=C6)OCC7=CC=CC=C7)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)C=C(C=C3)C4=C(C=C5C(=C4C)N(C=C(C5=O)C(=O)O)C6=CC=C(C=C6)OCC7=CC=CC=C7)F

InChI

InChI=1S/C39H31FN2O6S/c1-24-8-16-32(17-9-24)49(46,47)41-20-28-11-10-27(18-29(28)21-41)36-25(2)37-33(19-35(36)40)38(43)34(39(44)45)22-42(37)30-12-14-31(15-13-30)48-23-26-6-4-3-5-7-26/h3-19,22H,20-21,23H2,1-2H3,(H,44,45)