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

Systemtic Name: [4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl] butanoate Openeye Name: [4-(3-fluoro-4-methoxy-phenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [4-(3-fluoro-4-methoxyphenyl)-3-(4-sulfamoylphenyl)-1-pyrazolyl] ester IUPAC Name: [4-(3-fluoro-4-methoxyphenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [4-(3-fluoro-4-methoxy-phenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl] ester Formula: C20H20FN3O5S MolecularWeight: 433.453303

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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)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O5S/c1-3-4-19(25)29-24-12-16(14-7-10-18(28-2)17(21)11-14)20(23-24)13-5-8-15(9-6-13)30(22,26)27/h5-12H,3-4H2,1-2H3,(H2,22,26,27)