methyl 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-phenethylpyrazole-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-(4-mesylphenyl)-2-phenethyl-pyrazole-3-carboxylic acid methyl ester Formula: C26H23ClN2O4S MolecularWeight: 494.98982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NN1CCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C(=NN1CCC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H23ClN2O4S/c1-33-26(30)25-23(19-8-12-21(27)13-9-19)24(20-10-14-22(15-11-20)34(2,31)32)28-29(25)17-16-18-6-4-3-5-7-18/h3-15H,16-17H2,1-2H3