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

Systemtic Name: N-(4-methoxy-3-oxidanyl-phenyl)-3-nitro-4-(trifluoromethylsulfonylamino)benzenesulfonamide Openeye Name: N-(3-hydroxy-4-methoxy-phenyl)-3-nitro-4-(trifluoromethylsulfonylamino)benzenesulfonamide CAS Name: N-(3-hydroxy-4-methoxyphenyl)-3-nitro-4-(trifluoromethylsulfonylamino)benzenesulfonamide IUPAC Name: N-(3-hydroxy-4-methoxyphenyl)-3-nitro-4-(trifluoromethylsulfonylamino)benzenesulfonamide Traditional Name: N-(3-hydroxy-4-methoxy-phenyl)-3-nitro-4-(triflylamino)benzenesulfonamide Formula: C14H12F3N3O8S2 MolecularWeight: 471.38559

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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-])O

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-])O

InChI

InChI=1S/C14H12F3N3O8S2/c1-28-13-5-2-8(6-12(13)21)18-29(24,25)9-3-4-10(11(7-9)20(22)23)19-30(26,27)14(15,16)17/h2-7,18-19,21H,1H3