ethyl 1-(4-ethanoylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-ethanoylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-acetylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 1-(4-acetylphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-acetylphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(4-acetylphenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H20N2O5S/c1-4-28-21(25)19-13-20(16-7-11-18(12-8-16)29(3,26)27)23(22-19)17-9-5-15(6-10-17)14(2)24/h5-13H,4H2,1-3H3