N-(2-cyano-3-methyl-butan-2-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C18H26N4O3S2 MolecularWeight: 410.55404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S2/c1-14(2)18(3,13-19)21-16(23)12-26-17-8-7-15(11-20-17)27(24,25)22-9-5-4-6-10-22/h7-8,11,14H,4-6,9-10,12H2,1-3H3,(H,21,23)