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

Systemtic Name: N-(tert-butylcarbamoyl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]acetamide Formula: C21H31N5O4S2 MolecularWeight: 481.63194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C21H31N5O4S2/c1-5-26-17-10-9-15(32(29,30)25-11-7-6-8-12-25)13-16(17)22-20(26)31-14-18(27)23-19(28)24-21(2,3)4/h9-10,13H,5-8,11-12,14H2,1-4H3,(H2,23,24,27,28)