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

Systemtic Name: methyl 4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carboxylate CAS Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-phenethylpyrazole-3-carboxylate Traditional Name: 4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)-2-phenethyl-pyrazole-3-carboxylic acid methyl ester Formula: C27H25FN2O5S MolecularWeight: 508.561203

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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)CCC4=CC=CC=C4)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)CCC4=CC=CC=C4)C(=O)OC)F

InChI

InChI=1S/C27H25FN2O5S/c1-34-23-14-11-20(17-22(23)28)24-25(19-9-12-21(13-10-19)36(3,32)33)29-30(26(24)27(31)35-2)16-15-18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3