ethyl 1-cyclopropyl-7-[6-fluoranyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-7-[6-fluoranyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-7-[6-fluoro-2-(p-tolylsulfonyl)isoindolin-5-yl]-8-methoxy-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-[6-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-7-[6-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-8-methoxy-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-7-(6-fluoro-2-tosyl-isoindolin-5-yl)-4-keto-8-methoxy-quinoline-3-carboxylic acid ethyl ester Formula: C31H29FN2O6S MolecularWeight: 576.635163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2OC)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C=C3F)C6CC6

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2OC)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C=C3F)C6CC6

InChI

InChI=1S/C31H29FN2O6S/c1-4-40-31(36)26-17-34(21-7-8-21)28-24(29(26)35)12-11-23(30(28)39-3)25-13-19-15-33(16-20(19)14-27(25)32)41(37,38)22-9-5-18(2)6-10-22/h5-6,9-14,17,21H,4,7-8,15-16H2,1-3H3