ethyl 1-(4-chloranylsulfonylphenyl)-5-(phenylcarbonyloxy)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-chloranylsulfonylphenyl)-5-(phenylcarbonyloxy)pyrazole-3-carboxylate Openeye Name: ethyl 5-benzoyloxy-1-(4-chlorosulfonylphenyl)pyrazole-3-carboxylate CAS Name: 5-benzoyloxy-1-(4-chlorosulfonylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzoyloxy-1-(4-chlorosulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 5-benzoyloxy-1-(4-chlorosulfonylphenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C19H15ClN2O6S MolecularWeight: 434.8502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O6S/c1-2-27-19(24)16-12-17(28-18(23)13-6-4-3-5-7-13)22(21-16)14-8-10-15(11-9-14)29(20,25)26/h3-12H,2H2,1H3