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

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-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)N(C)C2=C3C(=NN(C3=NC=C2C(=O)O)C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C3C(=NN(C3=NC=C2C(=O)O)C)C

InChI

InChI=1S/C20H20N4O5S/c1-5-6-11-29-14-7-9-15(10-8-14)30(27,28)24(4)18-16(20(25)26)12-21-19-17(18)13(2)22-23(19)3/h7-10,12H,11H2,1-4H3,(H,25,26)