(4-ethanoylphenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate

Systemtic Name: (4-ethanoylphenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate Openeye Name: (4-acetylphenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate CAS Name: 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonate Traditional Name: 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonic acid (4-acetylphenyl) ester Formula: C16H16N2O8S2 MolecularWeight: 428.43684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O8S2/c1-11(19)12-4-6-13(7-5-12)26-28(24,25)16-9-8-14(10-15(16)18(20)21)27(22,23)17(2)3/h4-10H,1-3H3