4-[(4-methoxyphenyl)sulfonylmethyl-thiophen-3-yl-amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonylmethyl-thiophen-3-yl-amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-thienyl)amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-thiophenyl)amino]-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfonylmethyl-thiophen-3-ylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-thienyl)amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C21H20N4O5S2 MolecularWeight: 472.5373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CSC=C4)C(=O)O)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CSC=C4)C(=O)O)C

InChI

InChI=1S/C21H20N4O5S2/c1-13-18-19(17(21(26)27)10-22-20(18)24(2)23-13)25(14-8-9-31-11-14)12-32(28,29)16-6-4-15(30-3)5-7-16/h4-11H,12H2,1-3H3,(H,26,27)