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

Systemtic Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-N-oxidanyl-pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbohydroxamic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-N-hydroxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 4-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridine-5-carbohydroxamic acid Formula: C20H21N5O5S MolecularWeight: 443.47624

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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)NO)C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C3C(=NN(C3=NC=C2C(=O)NO)C)C

InChI

InChI=1S/C20H21N5O5S/c1-5-6-11-30-14-7-9-15(10-8-14)31(28,29)25(4)18-16(20(26)23-27)12-21-19-17(18)13(2)22-24(19)3/h7-10,12,27H,11H2,1-4H3,(H,23,26)