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

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-[2-(p-tolylsulfonyl)isoindolin-5-yl]quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-(2-tosylisoindolin-5-yl)quinoline-3-carboxylic acid Formula: C28H22ClFN2O5S MolecularWeight: 553.001083

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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(=C4Cl)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(=C4Cl)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C28H22ClFN2O5S/c1-15-2-8-20(9-3-15)38(36,37)31-12-17-5-4-16(10-18(17)13-31)24-23(30)11-21-26(25(24)29)32(19-6-7-19)14-22(27(21)33)28(34)35/h2-5,8-11,14,19H,6-7,12-13H2,1H3,(H,34,35)