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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-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-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O5S/c26-22(24-15-13-18-8-4-5-9-19(18)16-24)17-30-23(27)21-12-6-7-14-25(21)31(28,29)20-10-2-1-3-11-20/h1-5,8-11,21H,6-7,12-17H2