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

Systemtic Name: 1-butyl-2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[(5-acetyl-2-ethoxyphenyl)methylthio]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[(5-acetyl-2-ethoxy-benzyl)thio]-1-butyl-benzimidazole-5-sulfonamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c1-4-6-11-25-20-9-8-18(31(23,27)28)13-19(20)24-22(25)30-14-17-12-16(15(3)26)7-10-21(17)29-5-2/h7-10,12-13H,4-6,11,14H2,1-3H3,(H2,23,27,28)