N-[4-(cyanomethyl)phenyl]-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]acetamide Formula: C24H27N5O3S2 MolecularWeight: 497.63288

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C24H27N5O3S2/c1-2-29-22-11-10-20(34(31,32)28-14-4-3-5-15-28)16-21(22)27-24(29)33-17-23(30)26-19-8-6-18(7-9-19)12-13-25/h6-11,16H,2-5,12,14-15,17H2,1H3,(H,26,30)