(2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C23H25FN2O5S MolecularWeight: 460.518403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C23H25FN2O5S/c24-19-10-4-5-11-21(19)32(29,30)26-15-18-9-3-2-8-17(18)14-20(26)23(28)31-16-22(27)25-12-6-1-7-13-25/h2-5,8-11,20H,1,6-7,12-16H2