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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-(fluoranylmethoxy)-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-4-oxo-7-[2-(p-tolylsulfonyl)isoindolin-5-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-4-keto-7-(2-tosylisoindolin-5-yl)quinoline-3-carboxylic acid Formula: C29H24F2N2O6S MolecularWeight: 566.572466

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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(=C4OCF)N(C=C(C5=O)C(=O)O)C6CC6)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)C=C(C=C3)C4=C(C=C5C(=C4OCF)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C29H24F2N2O6S/c1-16-2-8-21(9-3-16)40(37,38)32-12-18-5-4-17(10-19(18)13-32)25-24(31)11-22-26(28(25)39-15-30)33(20-6-7-20)14-23(27(22)34)29(35)36/h2-5,8-11,14,20H,6-7,12-13,15H2,1H3,(H,35,36)