dimethyl 4-[bis-(4-methylphenyl)sulfonylamino]-1H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate

Systemtic Name: dimethyl 4-[bis-(4-methylphenyl)sulfonylamino]-1H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Openeye Name: dimethyl 4-[bis(p-tolylsulfonyl)amino]-1H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate CAS Name: 4-[bis-(4-methylphenyl)sulfonylamino]-1H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[bis-(4-methylphenyl)sulfonylamino]-1H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylate Traditional Name: 4-(ditosylamino)-1H-pyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid dimethyl ester Formula: C24H22N4O8S2 MolecularWeight: 558.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=C3C=NNC3=NC(=C2C(=O)OC)C(=O)OC)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=C3C=NNC3=NC(=C2C(=O)OC)C(=O)OC)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H22N4O8S2/c1-14-5-9-16(10-6-14)37(31,32)28(38(33,34)17-11-7-15(2)8-12-17)21-18-13-25-27-22(18)26-20(24(30)36-4)19(21)23(29)35-3/h5-13H,1-4H3,(H,25,26,27)