[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate

Systemtic Name: [4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate Openeye Name: [4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl] ester IUPAC Name: [4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [4-(4-fluorophenyl)-3-(4-mesylphenyl)pyrazol-1-yl] ester Formula: C20H19FN2O4S MolecularWeight: 402.439263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC(=O)ON1C=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2O4S/c1-3-4-19(24)27-23-13-18(14-5-9-16(21)10-6-14)20(22-23)15-7-11-17(12-8-15)28(2,25)26/h5-13H,3-4H2,1-2H3