(3-tert-butylphenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate

Systemtic Name: (3-tert-butylphenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate Openeye Name: (3-tert-butylphenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate CAS Name: 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonic acid (3-tert-butylphenyl) ester IUPAC Name: (3-tert-butylphenyl) 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonate Traditional Name: 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonic acid (3-tert-butylphenyl) ester Formula: C18H22N2O7S2 MolecularWeight: 442.50648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O7S2/c1-18(2,3)13-7-6-8-14(11-13)27-29(25,26)17-10-9-15(12-16(17)20(21)22)28(23,24)19(4)5/h6-12H,1-5H3