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

Systemtic Name: [4-(3-fluoranyl-4-methyl-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate Openeye Name: [4-(3-fluoro-4-methyl-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [4-(3-fluoro-4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl] ester IUPAC Name: [4-(3-fluoro-4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [4-(3-fluoro-4-methyl-phenyl)-3-(4-mesylphenyl)pyrazol-1-yl] ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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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)C)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O4S/c1-4-5-20(25)28-24-13-18(16-7-6-14(2)19(22)12-16)21(23-24)15-8-10-17(11-9-15)29(3,26)27/h6-13H,4-5H2,1-3H3