[2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-(2-fluorophenyl)-2-oxidanylidene-ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-(2-fluorophenyl)-2-oxo-ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-fluorophenyl)-2-oxoethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-(2-fluorophenyl)-2-keto-ethyl] ester Formula: C19H18FNO5S MolecularWeight: 391.413323

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)C3=CC=CC=C3F

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H18FNO5S/c1-27(24,25)21-11-14-7-3-2-6-13(14)10-17(21)19(23)26-12-18(22)15-8-4-5-9-16(15)20/h2-9,17H,10-12H2,1H3