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

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-7-[3-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6-fluoro-7-[3-methyl-2-(p-tolylsulfonyl)isoindolin-5-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-7-[3-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6-fluoro-7-[3-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(3-methyl-2-tosyl-isoindolin-5-yl)quinoline-3-carboxylic acid ethyl ester Formula: C31H29FN2O5S MolecularWeight: 560.635763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)C3=CC4=C(CN(C4C)S(=O)(=O)C5=CC=C(C=C5)C)C=C3)C6CC6

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)C3=CC4=C(CN(C4C)S(=O)(=O)C5=CC=C(C=C5)C)C=C3)C6CC6

InChI

InChI=1S/C31H29FN2O5S/c1-4-39-31(36)27-17-33(22-9-10-22)29-15-25(28(32)14-26(29)30(27)35)20-7-8-21-16-34(19(3)24(21)13-20)40(37,38)23-11-5-18(2)6-12-23/h5-8,11-15,17,19,22H,4,9-10,16H2,1-3H3