(2-propan-2-ylphenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate

Systemtic Name: (2-propan-2-ylphenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate Openeye Name: (2-isopropylphenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate CAS Name: 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonic acid (2-propan-2-ylphenyl) ester IUPAC Name: (2-propan-2-ylphenyl) 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonate Traditional Name: 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonic acid o-cumenyl ester Formula: C17H20N2O7S2 MolecularWeight: 428.4799

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O7S2/c1-12(2)14-7-5-6-8-16(14)26-28(24,25)17-10-9-13(11-15(17)19(20)21)27(22,23)18(3)4/h5-12H,1-4H3