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

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 2-(4-ethoxyphenyl)ethanoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] 2-(4-ethoxyphenyl)acetate CAS Name: 2-(4-ethoxyphenyl)acetic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 2-(4-ethoxyphenyl)acetate Traditional Name: 2-p-phenetylacetic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)OC2=C(C(=NN2C(C)(C)C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)OC2=C(C(=NN2C(C)(C)C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O5S/c1-6-30-19-14-12-18(13-15-19)16-21(27)31-23-22(17(2)25-26(23)24(3,4)5)32(28,29)20-10-8-7-9-11-20/h7-15H,6,16H2,1-5H3