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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[1-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[1-methyl-2-(p-tolylsulfonyl)isoindolin-5-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[1-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[1-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-(1-methyl-2-tosyl-isoindolin-5-yl)quinoline-3-carboxylic acid Formula: C30H27FN2O6S MolecularWeight: 562.608583

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CN1S(=O)(=O)C3=CC=C(C=C3)C)C=C(C=C2)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

Isomeric SMILES

CC1C2=C(CN1S(=O)(=O)C3=CC=C(C=C3)C)C=C(C=C2)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C30H27FN2O6S/c1-16-4-9-21(10-5-16)40(37,38)33-14-19-12-18(6-11-22(19)17(33)2)26-25(31)13-23-27(29(26)39-3)32(20-7-8-20)15-24(28(23)34)30(35)36/h4-6,9-13,15,17,20H,7-8,14H2,1-3H3,(H,35,36)