N-butyl-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide

Systemtic Name: N-butyl-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide Openeye Name: N-butyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide CAS Name: N-butyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-3H-benzimidazole-5-sulfonamide IUPAC Name: N-butyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide Traditional Name: N-butyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-3H-benzimidazole-5-sulfonamide Formula: C20H22FN3O4S2 MolecularWeight: 451.534783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC3=C4C(=CC(=C3)F)COCO4

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC3=C4C(=CC(=C3)F)COCO4

InChI

InChI=1S/C20H22FN3O4S2/c1-2-3-6-22-30(25,26)16-4-5-17-18(9-16)24-20(23-17)29-11-14-8-15(21)7-13-10-27-12-28-19(13)14/h4-5,7-9,22H,2-3,6,10-12H2,1H3,(H,23,24)