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

Systemtic Name: (2-methylphenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate Openeye Name: o-tolyl 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate CAS Name: 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonate Traditional Name: 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonic acid o-tolyl ester Formula: C15H16N2O7S2 MolecularWeight: 400.42674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O7S2/c1-11-6-4-5-7-14(11)24-26(22,23)15-9-8-12(10-13(15)17(18)19)25(20,21)16(2)3/h4-10H,1-3H3