1-butyl-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-1-butyl-benzimidazole-5-sulfonamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C21H25N3O4S2/c1-4-5-10-24-19-8-7-17(30(22,26)27)12-18(19)23-21(24)29-13-16-11-15(14(2)25)6-9-20(16)28-3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H2,22,26,27)