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

Systemtic Name: phenylsulfonylamino 3-[[3-fluoranyl-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: benzenesulfonamido 3-[[3-fluoro-4-[2-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[[[3-fluoro-4-[2-(2-pyrimidinylamino)-1-piperidinyl]phenyl]-oxomethyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[3-fluoro-4-[2-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[3-fluoro-4-[2-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C25H27FN6O5S MolecularWeight: 542.582483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN6O5S/c26-20-17-18(10-11-21(20)32-16-5-4-9-22(32)30-25-28-13-6-14-29-25)24(34)27-15-12-23(33)37-31-38(35,36)19-7-2-1-3-8-19/h1-3,6-8,10-11,13-14,17,22,31H,4-5,9,12,15-16H2,(H,27,34)(H,28,29,30)