2-[4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-(3-fluoro-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetic acid CAS Name: 2-[4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[4-(3-fluoro-4-methoxy-phenyl)-3-(4-mesylphenyl)pyrazol-1-yl]acetic acid Formula: C19H17FN2O5S MolecularWeight: 404.412083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC(=O)O)F

InChI

InChI=1S/C19H17FN2O5S/c1-27-17-8-5-13(9-16(17)20)15-10-22(11-18(23)24)21-19(15)12-3-6-14(7-4-12)28(2,25)26/h3-10H,11H2,1-2H3,(H,23,24)