4-[[(4-methoxyphenyl)sulfonyl-pyridin-3-yl-methyl]amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-[[(4-methoxyphenyl)sulfonyl-pyridin-3-yl-methyl]amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-[[(4-methoxyphenyl)sulfonyl-(3-pyridyl)methyl]amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[[(4-methoxyphenyl)sulfonyl-(3-pyridinyl)methyl]amino]-1-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-[[(4-methoxyphenyl)sulfonyl-pyridin-3-ylmethyl]amino]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-[[(4-methoxyphenyl)sulfonyl-(3-pyridyl)methyl]amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C26H21N5O5S MolecularWeight: 515.54044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(C2=CN=CC=C2)NC3=C4C=NN(C4=NC=C3C(=O)O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(C2=CN=CC=C2)NC3=C4C=NN(C4=NC=C3C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C26H21N5O5S/c1-36-19-9-11-20(12-10-19)37(34,35)25(17-6-5-13-27-14-17)30-23-21-16-29-31(18-7-3-2-4-8-18)24(21)28-15-22(23)26(32)33/h2-16,25H,1H3,(H,28,30)(H,32,33)