1-(azepan-1-yl)-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]ethanone Formula: C21H30N4O4S2 MolecularWeight: 466.6173

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC(=O)N4CCCCCC4

InChI

InChI=1S/C21H30N4O4S2/c1-2-25-19-8-7-17(31(27,28)24-11-13-29-14-12-24)15-18(19)22-21(25)30-16-20(26)23-9-5-3-4-6-10-23/h7-8,15H,2-6,9-14,16H2,1H3