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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] butanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4S/c1-7-8-16(22)25-18-17(14(3)20-21(18)19(4,5)6)26(23,24)15-11-9-13(2)10-12-15/h9-12H,7-8H2,1-6H3