4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyrazole-3-carboxylic acid Openeye Name: 2-benzyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid CAS Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylic acid Traditional Name: 2-benzyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid Formula: C25H21FN2O5S MolecularWeight: 480.508043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC4=CC=CC=C4)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC4=CC=CC=C4)C(=O)O)F

InChI

InChI=1S/C25H21FN2O5S/c1-33-21-13-10-18(14-20(21)26)22-23(17-8-11-19(12-9-17)34(2,31)32)27-28(24(22)25(29)30)15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,29,30)