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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-6-fluoro-8-methyl-4-oxo-7-[2-(p-tolylsulfonyl)isoindolin-5-yl]quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-8-methyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-6-fluoro-4-keto-8-methyl-7-(2-tosylisoindolin-5-yl)quinoline-3-carboxylic acid Formula: C32H23F3N2O5S MolecularWeight: 604.59563

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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=C(C=C(C=C6)F)F)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=C(C=C(C=C6)F)F)F

InChI

InChI=1S/C32H23F3N2O5S/c1-17-3-8-23(9-4-17)43(41,42)36-14-20-6-5-19(11-21(20)15-36)29-18(2)30-24(13-27(29)35)31(38)25(32(39)40)16-37(30)28-10-7-22(33)12-26(28)34/h3-13,16H,14-15H2,1-2H3,(H,39,40)