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

Systemtic Name: 1-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 1-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 1-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridinyl)amino]-3-methyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 1-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-ylamino]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 1-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C28H25N5O6S MolecularWeight: 559.593

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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=CN=CC=C4)C(=O)O)C5=CC=CC=C5OC

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4)C(=O)O)C5=CC=CC=C5OC

InChI

InChI=1S/C28H25N5O6S/c1-18-25-26(22(28(34)35)16-30-27(25)33(31-18)23-8-4-5-9-24(23)39-3)32(19-7-6-14-29-15-19)17-40(36,37)21-12-10-20(38-2)11-13-21/h4-16H,17H2,1-3H3,(H,34,35)