methyl 4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: methyl 4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: methyl 2-benzyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 2-benzyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C26H23FN2O5S MolecularWeight: 494.534623

Click to see the large picture

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)OC)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)OC)F

InChI

InChI=1S/C26H23FN2O5S/c1-33-22-14-11-19(15-21(22)27)23-24(18-9-12-20(13-10-18)35(3,31)32)28-29(25(23)26(30)34-2)16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3