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

Systemtic Name: ethyl 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-[7-fluoranyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-8-(difluoromethoxy)-7-[7-fluoro-2-(p-tolylsulfonyl)isoindolin-5-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-7-[7-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-8-(difluoromethoxy)-7-[7-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-8-(difluoromethoxy)-7-(7-fluoro-2-tosyl-isoindolin-5-yl)-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C31H27F3N2O6S MolecularWeight: 612.61609

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2OC(F)F)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C(=C3)F)C6CC6

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2OC(F)F)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C(=C3)F)C6CC6

InChI

InChI=1S/C31H27F3N2O6S/c1-3-41-30(38)25-16-36(20-6-7-20)27-23(28(25)37)11-10-22(29(27)42-31(33)34)18-12-19-14-35(15-24(19)26(32)13-18)43(39,40)21-8-4-17(2)5-9-21/h4-5,8-13,16,20,31H,3,6-7,14-15H2,1-2H3