1,3-dimethyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonyl-amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 1,3-dimethyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonyl-amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 1,3-dimethyl-4-[methyl-[4-(4-pyridyloxy)phenyl]sulfonyl-amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 1,3-dimethyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 1,3-dimethyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]pyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 1,3-dimethyl-4-[methyl-[4-(4-pyridyloxy)phenyl]sulfonyl-amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C21H19N5O5S MolecularWeight: 453.47106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)N(C)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=NC=C4)C(=O)O)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)N(C)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=NC=C4)C(=O)O)C

InChI

InChI=1S/C21H19N5O5S/c1-13-18-19(17(21(27)28)12-23-20(18)25(2)24-13)26(3)32(29,30)16-6-4-14(5-7-16)31-15-8-10-22-11-9-15/h4-12H,1-3H3,(H,27,28)