[4-(4-methoxyphenyl)carbonyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-(4-methoxyphenyl)carbonyl-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(4-methoxyphenyl)-oxomethyl]-2-methyl-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [4-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methyl-4-p-anisoyl-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C20H17F3N2O5S MolecularWeight: 454.41959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C(F)(F)F)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C(F)(F)F)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H17F3N2O5S/c1-12-4-10-15(11-5-12)31(27,28)30-19-16(18(20(21,22)23)24-25(19)2)17(26)13-6-8-14(29-3)9-7-13/h4-11H,1-3H3