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

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] pentanoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] pentanoate CAS Name: pentanoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] pentanoate Traditional Name: valeric 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4S/c1-6-7-13-16(22)25-18-17(14(2)20-21(18)19(3,4)5)26(23,24)15-11-9-8-10-12-15/h8-12H,6-7,13H2,1-5H3