[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O5S/c1-15-20-11-16(12-24-21(20)26(2)25-15)22(28)32-27(17-5-4-10-23-13-17)14-33(29,30)19-8-6-18(31-3)7-9-19/h4-13H,14H2,1-3H3