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

Systemtic Name: methyl 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: methyl 2-benzyl-4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate Traditional Name: 2-benzyl-4-(4-chlorophenyl)-5-(4-mesylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C25H21ClN2O4S MolecularWeight: 480.96324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NN1CC2=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(=NN1CC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2O4S/c1-32-25(29)24-22(18-8-12-20(26)13-9-18)23(19-10-14-21(15-11-19)33(2,30)31)27-28(24)16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3