N-(1,3-benzodioxol-5-yl)-3-methyl-5-nitro-4-(trifluoromethylsulfonylamino)benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-methyl-5-nitro-4-(trifluoromethylsulfonylamino)benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-methyl-5-nitro-4-(trifluoromethylsulfonylamino)benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-methyl-5-nitro-4-(trifluoromethylsulfonylamino)benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-methyl-5-nitro-4-(trifluoromethylsulfonylamino)benzenesulfonamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-methyl-5-nitro-4-(triflylamino)benzenesulfonamide Formula: C15H12F3N3O8S2 MolecularWeight: 483.39629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H12F3N3O8S2/c1-8-4-10(6-11(21(22)23)14(8)20-31(26,27)15(16,17)18)30(24,25)19-9-2-3-12-13(5-9)29-7-28-12/h2-6,19-20H,7H2,1H3