ethyl 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-1-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-fluorophenyl)sulfonyl-methylamino]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C22H19FN4O4S MolecularWeight: 454.474063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N(C)S(=O)(=O)C3=CC=C(C=C3)F)C=NN2C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N(C)S(=O)(=O)C3=CC=C(C=C3)F)C=NN2C4=CC=CC=C4

InChI

InChI=1S/C22H19FN4O4S/c1-3-31-22(28)19-13-24-21-18(14-25-27(21)16-7-5-4-6-8-16)20(19)26(2)32(29,30)17-11-9-15(23)10-12-17/h4-14H,3H2,1-2H3