(4-tert-butyl-2-methyl-phenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate CAS Name: 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonate Traditional Name: 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C19H24N2O7S2 MolecularWeight: 456.53306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O7S2/c1-13-11-14(19(2,3)4)7-9-17(13)28-30(26,27)18-10-8-15(12-16(18)21(22)23)29(24,25)20(5)6/h7-12H,1-6H3