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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[3-methyl-2-(p-tolylsulfonyl)isoindolin-5-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(3-methyl-2-tosyl-isoindolin-5-yl)quinoline-3-carboxylic acid Formula: C29H25FN2O5S MolecularWeight: 532.582603

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CN1S(=O)(=O)C3=CC=C(C=C3)C)C=CC(=C2)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F

Isomeric SMILES

CC1C2=C(CN1S(=O)(=O)C3=CC=C(C=C3)C)C=CC(=C2)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C29H25FN2O5S/c1-16-3-9-21(10-4-16)38(36,37)32-14-19-6-5-18(11-22(19)17(32)2)23-13-27-24(12-26(23)30)28(33)25(29(34)35)15-31(27)20-7-8-20/h3-6,9-13,15,17,20H,7-8,14H2,1-2H3,(H,34,35)