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

Systemtic Name: (3-oxidanylpropylsulfonylamino) 3-[[4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: (3-hydroxypropylsulfonylamino) 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-hydroxypropylsulfonylamino) ester IUPAC Name: (3-hydroxypropylsulfonylamino) 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-hydroxypropylsulfonylamino) ester Formula: C22H30N6O6S MolecularWeight: 506.5752

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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)CCCO

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O6S/c29-15-4-16-35(32,33)27-34-20(30)10-13-23-21(31)17-6-8-18(9-7-17)28-14-2-1-5-19(28)26-22-24-11-3-12-25-22/h3,6-9,11-12,19,27,29H,1-2,4-5,10,13-16H2,(H,23,31)(H,24,25,26)