methyl 4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-pyrazole-3-carboxylate Openeye Name: methyl 2-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enylpyrazole-3-carboxylate Traditional Name: 2-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C22H21FN2O5S MolecularWeight: 444.475943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC=C)C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC=C)C(=O)OC)F

InChI

InChI=1S/C22H21FN2O5S/c1-5-12-25-21(22(26)30-3)19(15-8-11-18(29-2)17(23)13-15)20(24-25)14-6-9-16(10-7-14)31(4,27)28/h5-11,13H,1,12H2,2-4H3