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

Systemtic Name: [4-(3-fluoranyl-4-methyl-phenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl] butanoate Openeye Name: [4-(3-fluoro-4-methyl-phenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [4-(3-fluoro-4-methylphenyl)-3-(4-sulfamoylphenyl)-1-pyrazolyl] ester IUPAC Name: [4-(3-fluoro-4-methylphenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [4-(3-fluoro-4-methyl-phenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl] ester Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O4S/c1-3-4-19(25)28-24-12-17(15-6-5-13(2)18(21)11-15)20(23-24)14-7-9-16(10-8-14)29(22,26)27/h5-12H,3-4H2,1-2H3,(H2,22,26,27)