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

Systemtic Name: 2-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-N,N-diethyl-1-propan-2-yl-benzimidazole-5-sulfonamide Openeye Name: 2-[(2,6-difluorophenyl)methylsulfanyl]-N,N-diethyl-1-isopropyl-benzimidazole-5-sulfonamide CAS Name: 2-[(2,6-difluorophenyl)methylthio]-N,N-diethyl-1-propan-2-yl-5-benzimidazolesulfonamide IUPAC Name: 2-[(2,6-difluorophenyl)methylsulfanyl]-N,N-diethyl-1-propan-2-ylbenzimidazole-5-sulfonamide Traditional Name: 2-[(2,6-difluorobenzyl)thio]-N,N-diethyl-1-isopropyl-benzimidazole-5-sulfonamide Formula: C21H25F2N3O2S2 MolecularWeight: 453.568906

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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=C3F)F)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25F2N3O2S2/c1-5-25(6-2)30(27,28)15-10-11-20-19(12-15)24-21(26(20)14(3)4)29-13-16-17(22)8-7-9-18(16)23/h7-12,14H,5-6,13H2,1-4H3