1-butyl-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]benzimidazole-5-sulfonamide Formula: C21H24FN3O3S2 MolecularWeight: 449.561963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O3S2/c1-2-3-12-25-19-11-10-17(30(23,27)28)14-18(19)24-21(25)29-13-4-5-20(26)15-6-8-16(22)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H2,23,27,28)