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

Systemtic Name: phenylsulfonylamino 3-[[3-[2-methoxy-2-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: benzenesulfonamido 3-[[3-[2-methoxy-2-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[[[3-[2-methoxy-2-(2-pyrimidinylamino)-1-piperidinyl]phenyl]-oxomethyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[3-[2-methoxy-2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[3-[2-methoxy-2-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C26H30N6O6S MolecularWeight: 554.618

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCCCN1C2=CC=CC(=C2)C(=O)NCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

COC1(CCCCN1C2=CC=CC(=C2)C(=O)NCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C26H30N6O6S/c1-37-26(30-25-28-15-8-16-29-25)14-5-6-18-32(26)21-10-7-9-20(19-21)24(34)27-17-13-23(33)38-31-39(35,36)22-11-3-2-4-12-22/h2-4,7-12,15-16,19,31H,5-6,13-14,17-18H2,1H3,(H,27,34)(H,28,29,30)