[2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2,6-bis(fluoranyl)benzoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2,6-bis(fluoranyl)benzoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 2,6-difluorobenzoate CAS Name: 2,6-difluorobenzoic 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] 2,6-difluorobenzoate Traditional Name: 2,6-difluorobenzoic acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C22H22F2N2O4S MolecularWeight: 448.482886

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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=C(C=CC=C3F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C22H22F2N2O4S/c1-13-9-11-15(12-10-13)31(28,29)19-14(2)25-26(22(3,4)5)20(19)30-21(27)18-16(23)7-6-8-17(18)24/h6-12H,1-5H3