4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CNC2=C3C(=NN(C3=NC=C2C(=O)O)C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CNC2=C3C(=NN(C3=NC=C2C(=O)O)C)C

InChI

InChI=1S/C20H20N4O5S/c1-4-5-10-29-14-6-8-15(9-7-14)30(27,28)12-22-18-16(20(25)26)11-21-19-17(18)13(2)23-24(19)3/h6-9,11H,10,12H2,1-3H3,(H,21,22)(H,25,26)