2-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(3,4-difluorophenyl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(3,4-difluorophenyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(3,4-difluorophenyl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(3,4-difluorophenyl)thio]methyl]benzimidazole-5-sulfonamide Formula: C18H19F2N3O2S2 MolecularWeight: 411.489166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H19F2N3O2S2/c1-2-3-8-23-17-7-5-13(27(21,24)25)10-16(17)22-18(23)11-26-12-4-6-14(19)15(20)9-12/h4-7,9-10H,2-3,8,11H2,1H3,(H2,21,24,25)