[2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H24N2O6S/c1-14-6-9-17(10-7-14)32(27,28)20-15(2)24-25(23(3,4)5)21(20)31-22(26)16-8-11-18-19(12-16)30-13-29-18/h6-12H,13H2,1-5H3