3-[5-methoxy-1-(4-methoxyphenyl)sulfonyl-pyrazolo[3,4-b]pyridin-3-yl]propanoic acid

Systemtic Name: 3-[5-methoxy-1-(4-methoxyphenyl)sulfonyl-pyrazolo[3,4-b]pyridin-3-yl]propanoic acid Openeye Name: 3-[5-methoxy-1-(4-methoxyphenyl)sulfonyl-pyrazolo[3,4-b]pyridin-3-yl]propanoic acid CAS Name: 3-[5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-pyrazolo[3,4-b]pyridinyl]propanoic acid IUPAC Name: 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylpyrazolo[3,4-b]pyridin-3-yl]propanoic acid Traditional Name: 3-[5-methoxy-1-(4-methoxyphenyl)sulfonyl-pyrazolo[3,4-b]pyridin-3-yl]propionic acid Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C3=NC=C(C=C3C(=N2)CCC(=O)O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C3=NC=C(C=C3C(=N2)CCC(=O)O)OC

InChI

InChI=1S/C17H17N3O6S/c1-25-11-3-5-13(6-4-11)27(23,24)20-17-14(9-12(26-2)10-18-17)15(19-20)7-8-16(21)22/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)