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

Systemtic Name: 3-tert-butyl-4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 3-tert-butyl-4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 3-tert-butyl-4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridinyl)amino]-1-methyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 3-tert-butyl-4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-ylamino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 3-tert-butyl-4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-1-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C25H27N5O5S MolecularWeight: 509.57738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C2=NC=C(C(=C12)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4)C(=O)O)C

Isomeric SMILES

CC(C)(C)C1=NN(C2=NC=C(C(=C12)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4)C(=O)O)C

InChI

InChI=1S/C25H27N5O5S/c1-25(2,3)22-20-21(19(24(31)32)14-27-23(20)29(4)28-22)30(16-7-6-12-26-13-16)15-36(33,34)18-10-8-17(35-5)9-11-18/h6-14H,15H2,1-5H3,(H,31,32)