4-[(4-methoxyphenyl)sulfonylmethyl-thiophen-2-yl-amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonylmethyl-thiophen-2-yl-amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(2-thienyl)amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonylmethyl-thiophen-2-ylamino]-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfonylmethyl-thiophen-2-ylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(2-thienyl)amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C21H20N4O5S2 MolecularWeight: 472.5373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CC=CS4)C(=O)O)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CC=CS4)C(=O)O)C

InChI

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