(2-phenyl-5-propan-2-yl-pyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (2-phenyl-5-propan-2-yl-pyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (5-isopropyl-2-phenyl-pyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (2-phenyl-5-propan-2-yl-3-pyrazolyl) ester IUPAC Name: (2-phenyl-5-propan-2-ylpyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (5-isopropyl-2-phenyl-pyrazol-3-yl) ester Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C(C)C)C

InChI

InChI=1S/C21H24N2O3S/c1-14(2)19-13-20(23(22-19)18-9-7-6-8-10-18)26-27(24,25)21-16(4)11-15(3)12-17(21)5/h6-14H,1-5H3