[4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-2-yl-amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl] N-oxidanylcarbamate

Systemtic Name: [4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-2-yl-amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl] N-oxidanylcarbamate Openeye Name: [4-[(4-methoxyphenyl)sulfonylmethyl-(2-pyridyl)amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl] N-hydroxycarbamate CAS Name: N-hydroxycarbamic acid [4-[(4-methoxyphenyl)sulfonylmethyl-(2-pyridinyl)amino]-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl] ester IUPAC Name: [4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-2-ylamino]-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl] N-hydroxycarbamate Traditional Name: N-hydroxycarbamic acid [4-[(4-methoxyphenyl)sulfonylmethyl-(2-pyridyl)amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl] ester Formula: C22H22N6O6S MolecularWeight: 498.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CC=CC=N4)OC(=O)NO)C

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CC=CC=N4)OC(=O)NO)C

InChI

InChI=1S/C22H22N6O6S/c1-14-19-20(17(34-22(29)26-30)12-24-21(19)27(2)25-14)28(18-6-4-5-11-23-18)13-35(31,32)16-9-7-15(33-3)8-10-16/h4-12,30H,13H2,1-3H3,(H,26,29)