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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]acetamide Formula: C23H25N5O4S2 MolecularWeight: 499.6057

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C23H25N5O4S2/c1-2-28-21-8-7-19(34(30,31)27-11-13-32-14-12-27)15-20(21)26-23(28)33-16-22(29)25-18-5-3-17(4-6-18)9-10-24/h3-8,15H,2,9,11-14,16H2,1H3,(H,25,29)