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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 3,4,5-triethoxybenzoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic 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] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C28H36N2O7S MolecularWeight: 544.65964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C(C)(C)C)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C(C)(C)C)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H36N2O7S/c1-9-34-22-16-20(17-23(35-10-2)24(22)36-11-3)27(31)37-26-25(19(5)29-30(26)28(6,7)8)38(32,33)21-14-12-18(4)13-15-21/h12-17H,9-11H2,1-8H3