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

Systemtic Name: N-(1-cyanocyclopentyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H22N4O3S2/c18-13-17(7-1-2-8-17)20-15(22)12-25-16-6-5-14(11-19-16)26(23,24)21-9-3-4-10-21/h5-6,11H,1-4,7-10,12H2,(H,20,22)