N-(2-cyanoethyl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]acetamide Formula: C19H25N5O3S2 MolecularWeight: 435.5635

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NCCC#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NCCC#N

InChI

InChI=1S/C19H25N5O3S2/c1-2-24-17-8-7-15(29(26,27)23-11-4-3-5-12-23)13-16(17)22-19(24)28-14-18(25)21-10-6-9-20/h7-8,13H,2-6,10-12,14H2,1H3,(H,21,25)