1-butyl-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(3-fluoro-4-methoxyphenyl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(3-fluoro-4-methoxy-benzyl)thio]benzimidazole-5-sulfonamide Formula: C19H22FN3O3S2 MolecularWeight: 423.524683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O3S2/c1-3-4-9-23-17-7-6-14(28(21,24)25)11-16(17)22-19(23)27-12-13-5-8-18(26-2)15(20)10-13/h5-8,10-11H,3-4,9,12H2,1-2H3,(H2,21,24,25)