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

Systemtic Name: N-(1-cyanocyclohexyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C19H26N4O3S2 MolecularWeight: 422.56474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H26N4O3S2/c20-15-19(9-3-1-4-10-19)22-17(24)14-27-18-8-7-16(13-21-18)28(25,26)23-11-5-2-6-12-23/h7-8,13H,1-6,9-12,14H2,(H,22,24)