(phenylmethyl) 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: benzyl 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate CAS Name: 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-3-(4-mesylphenyl)-1H-pyrazole-5-carboxylic acid benzyl ester Formula: C24H19ClN2O4S MolecularWeight: 466.93666

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=C2C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=C2C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H19ClN2O4S/c1-32(29,30)20-13-9-18(10-14-20)22-21(17-7-11-19(25)12-8-17)23(27-26-22)24(28)31-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,26,27)