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

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carboxylate Openeye Name: 4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carboxylate CAS Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-3-pyrazolecarboxylate IUPAC Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-phenethylpyrazole-3-carboxylate Traditional Name: 4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)-2-phenethyl-pyrazole-3-carboxylate Formula: C26H22FN2O5S- MolecularWeight: 493.526683

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)CCC4=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)CCC4=CC=CC=C4)C(=O)[O-])F

InChI

InChI=1S/C26H23FN2O5S/c1-34-22-13-10-19(16-21(22)27)23-24(18-8-11-20(12-9-18)35(2,32)33)28-29(25(23)26(30)31)15-14-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,30,31)/p-1