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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[2-(p-tolylsulfonyl)isoindolin-5-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(2-tosylisoindolin-5-yl)quinoline-3-carboxylic acid Formula: C28H23FN2O5S MolecularWeight: 518.556023

Click to see the large picture

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(=C4)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(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C28H23FN2O5S/c1-16-2-8-21(9-3-16)37(35,36)30-13-18-5-4-17(10-19(18)14-30)22-12-26-23(11-25(22)29)27(32)24(28(33)34)15-31(26)20-6-7-20/h2-5,8-12,15,20H,6-7,13-14H2,1H3,(H,33,34)