phenylsulfonylamino 3-[[3-[2-oxidanyl-2-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate

Systemtic Name: phenylsulfonylamino 3-[[3-[2-oxidanyl-2-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: benzenesulfonamido 3-[[3-[2-hydroxy-2-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[[[3-[2-hydroxy-2-(2-pyrimidinylamino)-1-piperidinyl]phenyl]-oxomethyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[3-[2-hydroxy-2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[3-[2-hydroxy-2-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C25H28N6O6S MolecularWeight: 540.59142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(NC2=NC=CC=N2)O)C3=CC=CC(=C3)C(=O)NCCC(=O)ONS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C(C1)(NC2=NC=CC=N2)O)C3=CC=CC(=C3)C(=O)NCCC(=O)ONS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28N6O6S/c32-22(37-30-38(35,36)21-10-2-1-3-11-21)12-16-26-23(33)19-8-6-9-20(18-19)31-17-5-4-13-25(31,34)29-24-27-14-7-15-28-24/h1-3,6-11,14-15,18,30,34H,4-5,12-13,16-17H2,(H,26,33)(H,27,28,29)