(pyridin-3-ylsulfonylamino) 3-[[4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate

Systemtic Name: (pyridin-3-ylsulfonylamino) 3-[[4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: (3-pyridylsulfonylamino) 3-[[4-[2-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-[2-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino]propanoic acid (3-pyridinylsulfonylamino) ester IUPAC Name: (pyridin-3-ylsulfonylamino) 3-[[4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[4-[2-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid (3-pyridylsulfonylamino) ester Formula: C24H27N7O5S MolecularWeight: 525.58008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N7O5S/c32-22(36-30-37(34,35)20-5-3-12-25-17-20)11-15-26-23(33)18-7-9-19(10-8-18)31-16-2-1-6-21(31)29-24-27-13-4-14-28-24/h3-5,7-10,12-14,17,21,30H,1-2,6,11,15-16H2,(H,26,33)(H,27,28,29)