ethyl 1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(p-tolylsulfonyl)-3-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-tosyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C14H13F3N2O4S MolecularWeight: 362.32423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CN(N=C1C(F)(F)F)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H13F3N2O4S/c1-3-23-13(20)11-8-19(18-12(11)14(15,16)17)24(21,22)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3