(1,3-dimethyl-4-propyl-pyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate

Systemtic Name: (1,3-dimethyl-4-propyl-pyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate Openeye Name: (1,3-dimethyl-4-propyl-pyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1,3-dimethyl-4-propyl-6-pyrazolo[3,4-b]pyridinyl) ester IUPAC Name: (1,3-dimethyl-4-propylpyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,3-dimethyl-4-propyl-pyrazolo[3,4-b]pyridin-6-yl) ester Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=NN2C)C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=NN2C)C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H21N3O3S/c1-5-6-14-11-16(19-18-17(14)13(3)20-21(18)4)24-25(22,23)15-9-7-12(2)8-10-15/h7-11H,5-6H2,1-4H3