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

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] propanoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] propanoate CAS Name: propanoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] propanoate Traditional Name: propionic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-6-14(20)23-16-15(12(2)18-19(16)17(3,4)5)24(21,22)13-10-8-7-9-11-13/h7-11H,6H2,1-5H3