ethyl 2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-(3-fluoro-4-methyl-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetate CAS Name: 2-[4-(3-fluoro-4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-fluoro-4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetate Traditional Name: 2-[4-(3-fluoro-4-methyl-phenyl)-3-(4-mesylphenyl)pyrazol-1-yl]acetic acid ethyl ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)C)F

Isomeric SMILES

CCOC(=O)CN1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC(=C(C=C3)C)F

InChI

InChI=1S/C21H21FN2O4S/c1-4-28-20(25)13-24-12-18(16-6-5-14(2)19(22)11-16)21(23-24)15-7-9-17(10-8-15)29(3,26)27/h5-12H,4,13H2,1-3H3