N-(3-fluoranyl-4-methoxy-phenyl)-3-nitro-4-(trifluoromethylsulfonylamino)benzenesulfonamide

Systemtic Name: N-(3-fluoranyl-4-methoxy-phenyl)-3-nitro-4-(trifluoromethylsulfonylamino)benzenesulfonamide Openeye Name: N-(3-fluoro-4-methoxy-phenyl)-3-nitro-4-(trifluoromethylsulfonylamino)benzenesulfonamide CAS Name: N-(3-fluoro-4-methoxyphenyl)-3-nitro-4-(trifluoromethylsulfonylamino)benzenesulfonamide IUPAC Name: N-(3-fluoro-4-methoxyphenyl)-3-nitro-4-(trifluoromethylsulfonylamino)benzenesulfonamide Traditional Name: N-(3-fluoro-4-methoxy-phenyl)-3-nitro-4-(triflylamino)benzenesulfonamide Formula: C14H11F4N3O7S2 MolecularWeight: 473.376653

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NS(=O)(=O)C(F)(F)F)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NS(=O)(=O)C(F)(F)F)[N+](=O)[O-])F

InChI

InChI=1S/C14H11F4N3O7S2/c1-28-13-5-2-8(6-10(13)15)19-29(24,25)9-3-4-11(12(7-9)21(22)23)20-30(26,27)14(16,17)18/h2-7,19-20H,1H3