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

Systemtic Name: 4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 1-benzyl-4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridinyl)amino]-1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 1-benzyl-4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-ylamino]pyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 1-benzyl-4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C27H23N5O5S MolecularWeight: 529.56702

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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)CC5=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)CC5=CC=CC=C5

InChI

InChI=1S/C27H23N5O5S/c1-37-21-9-11-22(12-10-21)38(35,36)18-31(20-8-5-13-28-14-20)25-23-16-30-32(17-19-6-3-2-4-7-19)26(23)29-15-24(25)27(33)34/h2-16H,17-18H2,1H3,(H,33,34)