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

Systemtic Name: N-(cyanomethyl)-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-(cyanomethyl)-N-methyl-acetamide CAS Name: 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethyl-4-piperidinyl]-N-(cyanomethyl)-N-methylacetamide IUPAC Name: 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(cyanomethyl)-N-methylacetamide Traditional Name: 2-[(3R,4S)-1-besyl-3-ethyl-4-piperidyl]-N-(cyanomethyl)-N-methyl-acetamide Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S/c1-3-15-14-21(25(23,24)17-7-5-4-6-8-17)11-9-16(15)13-18(22)20(2)12-10-19/h4-8,15-16H,3,9,11-14H2,1-2H3/t15-,16-/m0/s1