N-(1-cyanocyclopentyl)-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]acetamide Formula: C21H27N5O4S2 MolecularWeight: 477.60018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)NC4(CCCC4)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)NC4(CCCC4)C#N

InChI

InChI=1S/C21H27N5O4S2/c1-2-26-18-6-5-16(32(28,29)25-9-11-30-12-10-25)13-17(18)23-20(26)31-14-19(27)24-21(15-22)7-3-4-8-21/h5-6,13H,2-4,7-12,14H2,1H3,(H,24,27)