1-butyl-2-[(2,5-dimethylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(2,5-dimethylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(2,5-dimethylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(2,5-dimethylphenyl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(2,5-dimethylphenyl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(2,5-dimethylbenzyl)thio]benzimidazole-5-sulfonamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S2/c1-4-5-10-23-19-9-8-17(27(21,24)25)12-18(19)22-20(23)26-13-16-11-14(2)6-7-15(16)3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H2,21,24,25)