(3,3-dimethyl-2H-1-benzofuran-5-yl) 1-(dimethylsulfamoyl)-1,2,4-triazole-3-sulfonate

Systemtic Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) 1-(dimethylsulfamoyl)-1,2,4-triazole-3-sulfonate Openeye Name: (3,3-dimethyl-2H-benzofuran-5-yl) 1-(dimethylsulfamoyl)-1,2,4-triazole-3-sulfonate CAS Name: 1-(dimethylsulfamoyl)-1,2,4-triazole-3-sulfonic acid (3,3-dimethyl-2H-benzofuran-5-yl) ester IUPAC Name: (3,3-dimethyl-2H-1-benzofuran-5-yl) 1-(dimethylsulfamoyl)-1,2,4-triazole-3-sulfonate Traditional Name: 1-(dimethylsulfamoyl)-1,2,4-triazole-3-sulfonic acid (3,3-dimethylcoumaran-5-yl) ester Formula: C14H18N4O6S2 MolecularWeight: 402.44592

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C1C=C(C=C2)OS(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C

Isomeric SMILES

CC1(COC2=C1C=C(C=C2)OS(=O)(=O)C3=NN(C=N3)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C14H18N4O6S2/c1-14(2)8-23-12-6-5-10(7-11(12)14)24-25(19,20)13-15-9-18(16-13)26(21,22)17(3)4/h5-7,9H,8H2,1-4H3