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

Systemtic Name: [4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-yl-amino]-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl] N-oxidanylcarbamate Openeye Name: [4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl] N-hydroxycarbamate CAS Name: N-hydroxycarbamic acid [4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridinyl)amino]-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinyl] ester IUPAC Name: [4-[(4-methoxyphenyl)sulfonylmethyl-pyridin-3-ylamino]-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl] N-hydroxycarbamate Traditional Name: N-hydroxycarbamic acid [4-[(4-methoxyphenyl)sulfonylmethyl-(3-pyridyl)amino]-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl] ester Formula: C27H24N6O6S MolecularWeight: 560.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C(=C12)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4)OC(=O)NO)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=NC=C(C(=C12)N(CS(=O)(=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4)OC(=O)NO)C5=CC=CC=C5

InChI

InChI=1S/C27H24N6O6S/c1-18-24-25(23(39-27(34)31-35)16-29-26(24)33(30-18)19-7-4-3-5-8-19)32(20-9-6-14-28-15-20)17-40(36,37)22-12-10-21(38-2)11-13-22/h3-16,35H,17H2,1-2H3,(H,31,34)