[4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate

Systemtic Name: [4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate Openeye Name: [4-(3-fluoro-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl] ester IUPAC Name: [4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [4-(3-fluoro-4-methoxy-phenyl)-3-(4-mesylphenyl)pyrazol-1-yl] ester Formula: C21H21FN2O5S MolecularWeight: 432.465243

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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)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O5S/c1-4-5-20(25)29-24-13-17(15-8-11-19(28-2)18(22)12-15)21(23-24)14-6-9-16(10-7-14)30(3,26)27/h6-13H,4-5H2,1-3H3