N-(2-cyanoethyl)-N-methyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-methyl-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C16H22N4O3S2/c1-19(9-5-8-17)16(21)13-24-15-7-6-14(12-18-15)25(22,23)20-10-3-2-4-11-20/h6-7,12H,2-5,9-11,13H2,1H3