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

Systemtic Name: N,N-diethyl-2-[(3-fluoranyl-4-methyl-phenyl)methylsulfanyl]-1-propan-2-yl-benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-2-[(3-fluoro-4-methyl-phenyl)methylsulfanyl]-1-isopropyl-benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-2-[(3-fluoro-4-methylphenyl)methylthio]-1-propan-2-yl-5-benzimidazolesulfonamide IUPAC Name: N,N-diethyl-2-[(3-fluoro-4-methylphenyl)methylsulfanyl]-1-propan-2-ylbenzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-2-[(3-fluoro-4-methyl-benzyl)thio]-1-isopropyl-benzimidazole-5-sulfonamide Formula: C22H28FN3O2S2 MolecularWeight: 449.605023

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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)C)F)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O2S2/c1-6-25(7-2)30(27,28)18-10-11-21-20(13-18)24-22(26(21)15(3)4)29-14-17-9-8-16(5)19(23)12-17/h8-13,15H,6-7,14H2,1-5H3