(2,4,6-trimethylphenyl) 1-(dimethylsulfamoyl)-1,2,4-triazole-3-sulfonate

Systemtic Name: (2,4,6-trimethylphenyl) 1-(dimethylsulfamoyl)-1,2,4-triazole-3-sulfonate Openeye Name: (2,4,6-trimethylphenyl) 1-(dimethylsulfamoyl)-1,2,4-triazole-3-sulfonate CAS Name: 1-(dimethylsulfamoyl)-1,2,4-triazole-3-sulfonic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) 1-(dimethylsulfamoyl)-1,2,4-triazole-3-sulfonate Traditional Name: 1-(dimethylsulfamoyl)-1,2,4-triazole-3-sulfonic acid mesityl ester Formula: C13H18N4O5S2 MolecularWeight: 374.43582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OS(=O)(=O)C2=NN(C=N2)S(=O)(=O)N(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OS(=O)(=O)C2=NN(C=N2)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C13H18N4O5S2/c1-9-6-10(2)12(11(3)7-9)22-23(18,19)13-14-8-17(15-13)24(20,21)16(4)5/h6-8H,1-5H3