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

Systemtic Name: 2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-(3-fluoro-4-methyl-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetic acid CAS Name: 2-[4-(3-fluoro-4-methylphenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-(3-fluoro-4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[4-(3-fluoro-4-methyl-phenyl)-3-(4-mesylphenyl)pyrazol-1-yl]acetic acid Formula: C19H17FN2O4S MolecularWeight: 388.412683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC(=O)O)F

InChI

InChI=1S/C19H17FN2O4S/c1-12-3-4-14(9-17(12)20)16-10-22(11-18(23)24)21-19(16)13-5-7-15(8-6-13)27(2,25)26/h3-10H,11H2,1-2H3,(H,23,24)