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

Systemtic Name: N-(1-cyanocyclohexyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H24N4O3S2/c19-14-18(8-2-1-3-9-18)21-16(23)13-26-17-7-6-15(12-20-17)27(24,25)22-10-4-5-11-22/h6-7,12H,1-5,8-11,13H2,(H,21,23)