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

Systemtic Name: 4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridinyl)amino]-1-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-ylamino]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)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)CN(C2=CN=CC=C2)C3=C4C=NN(C4=NC=C3C(=O)O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CN(C2=CN=CC=C2)C3=C4C=NN(C4=NC=C3C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C26H21N5O5S/c1-36-20-9-11-21(12-10-20)37(34,35)17-30(19-8-5-13-27-14-19)24-22-16-29-31(18-6-3-2-4-7-18)25(22)28-15-23(24)26(32)33/h2-16H,17H2,1H3,(H,32,33)