2-[[2-chloranyl-3,6-bis(fluoranyl)phenyl]methylsulfanyl]-N,N-diethyl-1-propan-2-yl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[2-chloranyl-3,6-bis(fluoranyl)phenyl]methylsulfanyl]-N,N-diethyl-1-propan-2-yl-benzimidazole-5-sulfonamide Openeye Name: 2-[(2-chloro-3,6-difluoro-phenyl)methylsulfanyl]-N,N-diethyl-1-isopropyl-benzimidazole-5-sulfonamide CAS Name: 2-[(2-chloro-3,6-difluorophenyl)methylthio]-N,N-diethyl-1-propan-2-yl-5-benzimidazolesulfonamide IUPAC Name: 2-[(2-chloro-3,6-difluorophenyl)methylsulfanyl]-N,N-diethyl-1-propan-2-ylbenzimidazole-5-sulfonamide Traditional Name: 2-[(2-chloro-3,6-difluoro-benzyl)thio]-N,N-diethyl-1-isopropyl-benzimidazole-5-sulfonamide Formula: C21H24ClF2N3O2S2 MolecularWeight: 488.013966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=C(C=CC(=C3Cl)F)F)C(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=C(C=CC(=C3Cl)F)F)C(C)C

InChI

InChI=1S/C21H24ClF2N3O2S2/c1-5-26(6-2)31(28,29)14-7-10-19-18(11-14)25-21(27(19)13(3)4)30-12-15-16(23)8-9-17(24)20(15)22/h7-11,13H,5-6,12H2,1-4H3