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

Systemtic Name: 1-cyclopropyl-7-[7-fluoranyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[7-fluoro-2-(p-tolylsulfonyl)isoindolin-5-yl]-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[7-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[7-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(7-fluoro-2-tosyl-isoindolin-5-yl)-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C29H25FN2O5S MolecularWeight: 532.582603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)C(=CC(=C3)C4=C(C5=C(C=C4)C(=O)C(=CN5C6CC6)C(=O)O)C)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)C(=CC(=C3)C4=C(C5=C(C=C4)C(=O)C(=CN5C6CC6)C(=O)O)C)F

InChI

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