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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] propanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C(=NN1C(C)(C)C)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(=O)OC1=C(C(=NN1C(C)(C)C)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H24N2O4S/c1-7-15(21)24-17-16(13(3)19-20(17)18(4,5)6)25(22,23)14-10-8-12(2)9-11-14/h8-11H,7H2,1-6H3