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

Systemtic Name: (3-acetyloxypropylsulfonylamino) 3-[[4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: (3-acetoxypropylsulfonylamino) 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-acetyloxypropylsulfonylamino) ester IUPAC Name: (3-acetyloxypropylsulfonylamino) 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-acetoxypropylsulfonylamino) ester Formula: C24H32N6O7S MolecularWeight: 548.61188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCS(=O)(=O)NOC(=O)CCNC(=O)C1=CC=C(C=C1)N2CCCCC2NC3=NC=CC=N3

Isomeric SMILES

CC(=O)OCCCS(=O)(=O)NOC(=O)CCNC(=O)C1=CC=C(C=C1)N2CCCCC2NC3=NC=CC=N3

InChI

InChI=1S/C24H32N6O7S/c1-18(31)36-16-5-17-38(34,35)29-37-22(32)11-14-25-23(33)19-7-9-20(10-8-19)30-15-3-2-6-21(30)28-24-26-12-4-13-27-24/h4,7-10,12-13,21,29H,2-3,5-6,11,14-17H2,1H3,(H,25,33)(H,26,27,28)