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

Systemtic Name: ethyl 4-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(2-esyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

InChI

InChI=1S/C20H29N3O5S/c1-3-28-20(25)22-11-9-17(10-12-22)21-19(24)18-13-15-7-5-6-8-16(15)14-23(18)29(26,27)4-2/h5-8,17-18H,3-4,9-14H2,1-2H3,(H,21,24)