[3-(trifluoromethyl)phenyl] 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate

Systemtic Name: [3-(trifluoromethyl)phenyl] 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate Openeye Name: [3-(trifluoromethyl)phenyl] 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate CAS Name: 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonate Traditional Name: 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonic acid [3-(trifluoromethyl)phenyl] ester Formula: C15H13F3N2O7S2 MolecularWeight: 454.39813

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H13F3N2O7S2/c1-19(2)28(23,24)12-6-7-14(13(9-12)20(21)22)29(25,26)27-11-5-3-4-10(8-11)15(16,17)18/h3-9H,1-2H3