4-[[5,6-bis(fluoranyl)-1H-benzimidazol-2-yl]sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[5,6-bis(fluoranyl)-1H-benzimidazol-2-yl]sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(5,6-difluoro-1H-benzimidazol-2-yl)thio]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(5,6-difluoro-1H-benzimidazol-2-yl)thio]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C17H16F2N4O4S2 MolecularWeight: 442.460146

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC(=C(C=C3N2)F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC(=C(C=C3N2)F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16F2N4O4S2/c1-3-22(4-2)29(26,27)10-5-6-16(15(7-10)23(24)25)28-17-20-13-8-11(18)12(19)9-14(13)21-17/h5-9H,3-4H2,1-2H3,(H,20,21)