ethyl 4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-1-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C28H25N5O5S MolecularWeight: 543.5936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N(CC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC)C=NN2C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N(CC3=CN=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC)C=NN2C5=CC=CC=C5

InChI

InChI=1S/C28H25N5O5S/c1-3-38-28(34)25-17-30-27-24(18-31-33(27)21-9-5-4-6-10-21)26(25)32(19-20-8-7-15-29-16-20)39(35,36)23-13-11-22(37-2)12-14-23/h4-18H,3,19H2,1-2H3