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

Systemtic Name: 1-cyclopropyl-7-[4-fluoranyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-fluoro-2-(p-tolylsulfonyl)isoindolin-5-yl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(4-fluoro-2-tosyl-isoindolin-5-yl)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C29H25FN2O6S MolecularWeight: 548.582003

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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(C5=C(C=C4)C(=O)C(=CN5C6CC6)C(=O)O)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C29H25FN2O6S/c1-16-3-8-19(9-4-16)39(36,37)31-13-17-5-10-20(25(30)23(17)14-31)21-11-12-22-26(28(21)38-2)32(18-6-7-18)15-24(27(22)33)29(34)35/h3-5,8-12,15,18H,6-7,13-14H2,1-2H3,(H,34,35)