(5-tert-butyl-2-phenyl-pyrazol-3-yl) benzenesulfonate

Systemtic Name: (5-tert-butyl-2-phenyl-pyrazol-3-yl) benzenesulfonate Openeye Name: (5-tert-butyl-2-phenyl-pyrazol-3-yl) benzenesulfonate CAS Name: benzenesulfonic acid (5-tert-butyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-tert-butyl-2-phenylpyrazol-3-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (5-tert-butyl-2-phenyl-pyrazol-3-yl) ester Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S/c1-19(2,3)17-14-18(21(20-17)15-10-6-4-7-11-15)24-25(22,23)16-12-8-5-9-13-16/h4-14H,1-3H3