N-(2-cyanoethyl)-2-[(3R,4S)-3-ethyl-1-(phenylsulfonyl)piperidin-4-yl]-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(3R,4S)-3-ethyl-1-(phenylsulfonyl)piperidin-4-yl]-N-methyl-ethanamide Openeye Name: 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethyl-4-piperidyl]-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethyl-4-piperidinyl]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[(3R,4S)-1-besyl-3-ethyl-4-piperidyl]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1CC(=O)N(C)CCC#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H]1CN(CC[C@H]1CC(=O)N(C)CCC#N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H27N3O3S/c1-3-16-15-22(26(24,25)18-8-5-4-6-9-18)13-10-17(16)14-19(23)21(2)12-7-11-20/h4-6,8-9,16-17H,3,7,10,12-15H2,1-2H3/t16-,17-/m0/s1