N-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl]-N,2-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[[1-[bis(fluoranyl)methyl]imidazol-2-yl]methyl]-N,2-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[[1-(difluoromethyl)-2-imidazolyl]methyl]-N,2-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N,2-dimethyl-5-nitro-benzenesulfonamide Formula: C13H14F2N4O4S MolecularWeight: 360.336466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)CC2=NC=CN2C(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)CC2=NC=CN2C(F)F

InChI

InChI=1S/C13H14F2N4O4S/c1-9-3-4-10(19(20)21)7-11(9)24(22,23)17(2)8-12-16-5-6-18(12)13(14)15/h3-7,13H,8H2,1-2H3