3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylazepan-2-one

Systemtic Name: 3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylazepan-2-one Openeye Name: 3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylazepan-2-one CAS Name: 3-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-2-azepanone IUPAC Name: 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylazepan-2-one Traditional Name: 3-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]azepan-2-one Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SC4CCCCNC4=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SC4CCCCNC4=O

InChI

InChI=1S/C19H26N4O4S2/c1-2-23-16-7-6-14(29(25,26)22-9-11-27-12-10-22)13-15(16)21-19(23)28-17-5-3-4-8-20-18(17)24/h6-7,13,17H,2-5,8-12H2,1H3,(H,20,24)