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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2-phenylethanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 2-phenylacetate CAS Name: 2-phenylacetic acid [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4S/c1-16-11-13-19(14-12-16)30(27,28)21-17(2)24-25(23(3,4)5)22(21)29-20(26)15-18-9-7-6-8-10-18/h6-14H,15H2,1-5H3