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

Systemtic Name: N-(2-chlorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chlorophenyl)-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-chlorophenyl)-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-chlorophenyl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-chlorophenyl)-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]acetamide Formula: C22H25ClN4O3S2 MolecularWeight: 493.0419

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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=CC=C4Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C22H25ClN4O3S2/c1-2-27-20-11-10-16(32(29,30)26-12-6-3-7-13-26)14-19(20)25-22(27)31-15-21(28)24-18-9-5-4-8-17(18)23/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,28)