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

Systemtic Name: 4-[[(4-methoxyphenyl)sulfonyl-pyridin-2-yl-methyl]amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-[[(4-methoxyphenyl)sulfonyl-(2-pyridyl)methyl]amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[[(4-methoxyphenyl)sulfonyl-(2-pyridinyl)methyl]amino]-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-[[(4-methoxyphenyl)sulfonyl-pyridin-2-ylmethyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-[[(4-methoxyphenyl)sulfonyl-(2-pyridyl)methyl]amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C22H21N5O5S MolecularWeight: 467.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)NC(C3=CC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)NC(C3=CC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O)C

InChI

InChI=1S/C22H21N5O5S/c1-13-18-19(16(22(28)29)12-24-20(18)27(2)26-13)25-21(17-6-4-5-11-23-17)33(30,31)15-9-7-14(32-3)8-10-15/h4-12,21H,1-3H3,(H,24,25)(H,28,29)