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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] pentanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] pentanoate CAS Name: pentanoic 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] pentanoate Traditional Name: valeric acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4S/c1-7-8-9-17(23)26-19-18(15(3)21-22(19)20(4,5)6)27(24,25)16-12-10-14(2)11-13-16/h10-13H,7-9H2,1-6H3