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

Systemtic Name: phenylsulfonylamino 3-[[4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: benzenesulfonamido 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 benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[4-[2-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C25H28N6O5S MolecularWeight: 524.59202

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O5S/c32-23(36-30-37(34,35)21-7-2-1-3-8-21)14-17-26-24(33)19-10-12-20(13-11-19)31-18-5-4-9-22(31)29-25-27-15-6-16-28-25/h1-3,6-8,10-13,15-16,22,30H,4-5,9,14,17-18H2,(H,26,33)(H,27,28,29)