1-(azepan-1-yl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]ethanone Formula: C22H32N4O3S2 MolecularWeight: 464.64448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)N4CCCCCC4

InChI

InChI=1S/C22H32N4O3S2/c1-2-26-20-11-10-18(31(28,29)25-14-8-5-9-15-25)16-19(20)23-22(26)30-17-21(27)24-12-6-3-4-7-13-24/h10-11,16H,2-9,12-15,17H2,1H3