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

Systemtic Name: 4-[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]sulfanyl-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[[1-(difluoromethyl)-2-benzimidazolyl]thio]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[1-(difluoromethyl)benzimidazol-2-yl]thio]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H18F2N4O4S2 MolecularWeight: 456.486726

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3N2C(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3N2C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F2N4O4S2/c1-3-22(4-2)30(27,28)12-9-10-16(15(11-12)24(25)26)29-18-21-13-7-5-6-8-14(13)23(18)17(19)20/h5-11,17H,3-4H2,1-2H3