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

Systemtic Name: N-(cyanomethyl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]-N-phenyl-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)N(CC#N)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O3S2/c1-2-28-22-12-11-20(34(31,32)27-14-7-4-8-15-27)17-21(22)26-24(28)33-18-23(30)29(16-13-25)19-9-5-3-6-10-19/h3,5-6,9-12,17H,2,4,7-8,14-16,18H2,1H3