N,N-diethyl-1-propan-2-yl-2-[[3,4,5-tris(fluoranyl)phenyl]methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: N,N-diethyl-1-propan-2-yl-2-[[3,4,5-tris(fluoranyl)phenyl]methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-1-isopropyl-2-[(3,4,5-trifluorophenyl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-1-propan-2-yl-2-[(3,4,5-trifluorophenyl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: N,N-diethyl-1-propan-2-yl-2-[(3,4,5-trifluorophenyl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-1-isopropyl-2-[(3,4,5-trifluorobenzyl)thio]benzimidazole-5-sulfonamide Formula: C21H24F3N3O2S2 MolecularWeight: 471.55937

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC(=C(C(=C3)F)F)F)C(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC(=C(C(=C3)F)F)F)C(C)C

InChI

InChI=1S/C21H24F3N3O2S2/c1-5-26(6-2)31(28,29)15-7-8-19-18(11-15)25-21(27(19)13(3)4)30-12-14-9-16(22)20(24)17(23)10-14/h7-11,13H,5-6,12H2,1-4H3