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

Systemtic Name: 2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylcycloheptan-1-one Openeye Name: 2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylcycloheptanone CAS Name: 2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]-1-cycloheptanone IUPAC Name: 2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylcycloheptan-1-one Traditional Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]cycloheptanone Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SC4CCCCCC4=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SC4CCCCCC4=O

InChI

InChI=1S/C20H27N3O4S2/c1-2-23-17-9-8-15(29(25,26)22-10-12-27-13-11-22)14-16(17)21-20(23)28-19-7-5-3-4-6-18(19)24/h8-9,14,19H,2-7,10-13H2,1H3