[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate CAS Name: 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Traditional Name: 1-mesyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C19H17F2NO5S MolecularWeight: 409.403786

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)OCC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C19H17F2NO5S/c1-28(25,26)22-8-2-3-12-9-14(5-7-17(12)22)19(24)27-11-18(23)13-4-6-15(20)16(21)10-13/h4-7,9-10H,2-3,8,11H2,1H3