[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H26N2O5S/c1-2-27(24,25)21-11-8-16(9-12-21)19(23)26-14-18(22)20-10-7-15-5-3-4-6-17(15)13-20/h3-6,16H,2,7-14H2,1H3