1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-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-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-6-fluoro-4-oxo-7-[2-(p-tolylsulfonyl)isoindolin-5-yl]quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-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-7-(2-tosylisoindolin-5-yl)quinoline-3-carboxylic acid Formula: C31H21F3N2O5S MolecularWeight: 590.56905

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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(=C4)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(=C4)N(C=C(C5=O)C(=O)O)C6=C(C=C(C=C6)F)F)F

InChI

InChI=1S/C31H21F3N2O5S/c1-17-2-7-22(8-3-17)42(40,41)35-14-19-5-4-18(10-20(19)15-35)23-13-29-24(12-26(23)33)30(37)25(31(38)39)16-36(29)28-9-6-21(32)11-27(28)34/h2-13,16H,14-15H2,1H3,(H,38,39)