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

Systemtic Name: ethyl 5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-methylsulfonylphenyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 5-(4-methylsulfonylphenyl)-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methylsulfonylphenyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 5-(4-mesylphenyl)-1-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S/c1-3-25-19(22)17-13-18(21(20-17)15-7-5-4-6-8-15)14-9-11-16(12-10-14)26(2,23)24/h4-13H,3H2,1-2H3