5-(2-methyl-4-methylsulfonyl-phenyl)-4-(4-methylphenyl)-2-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: 5-(2-methyl-4-methylsulfonyl-phenyl)-4-(4-methylphenyl)-2-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: 2-benzyl-5-(2-methyl-4-methylsulfonyl-phenyl)-4-(p-tolyl)pyrazole-3-carboxylate CAS Name: 5-(2-methyl-4-methylsulfonylphenyl)-4-(4-methylphenyl)-2-(phenylmethyl)-3-pyrazolecarboxylate IUPAC Name: 2-benzyl-5-(2-methyl-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyrazole-3-carboxylate Traditional Name: 2-benzyl-5-(4-mesyl-2-methyl-phenyl)-4-(p-tolyl)pyrazole-3-carboxylate Formula: C26H23N2O4S- MolecularWeight: 459.53682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(N=C2C3=C(C=C(C=C3)S(=O)(=O)C)C)CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(N=C2C3=C(C=C(C=C3)S(=O)(=O)C)C)CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C26H24N2O4S/c1-17-9-11-20(12-10-17)23-24(22-14-13-21(15-18(22)2)33(3,31)32)27-28(25(23)26(29)30)16-19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,29,30)/p-1