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

Systemtic Name: 2-[(3R,4S)-3-ethyl-1-(phenylsulfonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethyl-4-piperidyl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethyl-4-piperidinyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(3R,4S)-1-besyl-3-ethyl-4-piperidyl]-N-(3-pyridylmethyl)acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCC1CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H]1CN(CC[C@H]1CC(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-2-18-16-24(28(26,27)20-8-4-3-5-9-20)12-10-19(18)13-21(25)23-15-17-7-6-11-22-14-17/h3-9,11,14,18-19H,2,10,12-13,15-16H2,1H3,(H,23,25)/t18-,19-/m0/s1