[5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-phenylethanoate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 2-phenylethanoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 2-phenylacetate CAS Name: 2-phenylacetic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenylpyrazol-3-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid (5-methyl-2-phenyl-4-tosyl-pyrazol-3-yl) ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4S/c1-18-13-15-22(16-14-18)32(29,30)24-19(2)26-27(21-11-7-4-8-12-21)25(24)31-23(28)17-20-9-5-3-6-10-20/h3-16H,17H2,1-2H3