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

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] 4-methylbenzoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenylpyrazol-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic 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)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H22N2O4S/c1-17-9-13-20(14-10-17)25(28)31-24-23(32(29,30)22-15-11-18(2)12-16-22)19(3)26-27(24)21-7-5-4-6-8-21/h4-16H,1-3H3