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

Systemtic Name: 3-butyl-2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 3-butyl-2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 3-butyl-2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 3-butyl-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 3-butyl-2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]benzimidazole-5-sulfonamide Formula: C19H20FN3O3S2 MolecularWeight: 421.508803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN3O3S2/c1-2-3-10-23-17-11-15(28(21,25)26)8-9-16(17)22-19(23)27-12-18(24)13-4-6-14(20)7-5-13/h4-9,11H,2-3,10,12H2,1H3,(H2,21,25,26)