[2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 3-methylbutanoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 3-methylbutanoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)CC(C)C)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)CC(C)C)C(C)(C)C

InChI

InChI=1S/C19H26N2O4S/c1-13(2)12-16(22)25-18-17(14(3)20-21(18)19(4,5)6)26(23,24)15-10-8-7-9-11-15/h7-11,13H,12H2,1-6H3