4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-1-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C27H22N4O5S MolecularWeight: 514.55238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C4C=NN(C4=NC=C3C(=O)O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C4C=NN(C4=NC=C3C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O5S/c1-36-21-12-14-22(15-13-21)37(34,35)30(18-19-8-4-2-5-9-19)25-23-17-29-31(20-10-6-3-7-11-20)26(23)28-16-24(25)27(32)33/h2-17H,18H2,1H3,(H,32,33)