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

Systemtic Name: ethyl 1-cyclopropyl-7-[7-fluoranyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-7-[7-fluoro-2-(p-tolylsulfonyl)isoindolin-5-yl]-8-methyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-[7-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-8-methyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-7-[7-fluoro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]-8-methyl-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-7-(7-fluoro-2-tosyl-isoindolin-5-yl)-4-keto-8-methyl-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=C(C1=O)C=CC(=C2C)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(=C2C)C3=CC4=C(CN(C4)S(=O)(=O)C5=CC=C(C=C5)C)C(=C3)F)C6CC6

InChI

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