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

Systemtic Name: ethyl 1-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(2-esyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)nipecotic acid ethyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

InChI

InChI=1S/C20H28N2O5S/c1-3-27-20(24)17-10-7-11-21(13-17)19(23)18-12-15-8-5-6-9-16(15)14-22(18)28(25,26)4-2/h5-6,8-9,17-18H,3-4,7,10-14H2,1-2H3