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

Systemtic Name: N,N-diethyl-2-[(2-fluoranyl-4,5-dimethoxy-phenyl)methylsulfanyl]-1-propan-2-yl-benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-2-[(2-fluoro-4,5-dimethoxy-phenyl)methylsulfanyl]-1-isopropyl-benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-2-[(2-fluoro-4,5-dimethoxyphenyl)methylthio]-1-propan-2-yl-5-benzimidazolesulfonamide IUPAC Name: N,N-diethyl-2-[(2-fluoro-4,5-dimethoxyphenyl)methylsulfanyl]-1-propan-2-ylbenzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-2-[(2-fluoro-4,5-dimethoxy-benzyl)thio]-1-isopropyl-benzimidazole-5-sulfonamide Formula: C23H30FN3O4S2 MolecularWeight: 495.630403

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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=C3F)OC)OC)C(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC(=C(C=C3F)OC)OC)C(C)C

InChI

InChI=1S/C23H30FN3O4S2/c1-7-26(8-2)33(28,29)17-9-10-20-19(12-17)25-23(27(20)15(3)4)32-14-16-11-21(30-5)22(31-6)13-18(16)24/h9-13,15H,7-8,14H2,1-6H3