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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-N,N-diethyl-1-propan-2-yl-benzimidazole-5-sulfonamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-N,N-diethyl-1-isopropyl-benzimidazole-5-sulfonamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-N,N-diethyl-1-propan-2-yl-5-benzimidazolesulfonamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N,N-diethyl-1-propan-2-ylbenzimidazole-5-sulfonamide Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-N,N-diethyl-1-isopropyl-benzimidazole-5-sulfonamide Formula: C21H25ClFN3O2S2 MolecularWeight: 470.023503

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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=C(C=C3)F)Cl)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClFN3O2S2/c1-5-25(6-2)30(27,28)17-9-10-20-19(12-17)24-21(26(20)14(3)4)29-13-15-7-8-16(23)11-18(15)22/h7-12,14H,5-6,13H2,1-4H3