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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC=CC=N2)C3=C(C=C(C=C3)C(=O)NCCC(=O)ONS(=O)(=O)C4=CC=CC=C4)F

Isomeric SMILES

C1CN(CCC1NC2=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/c26-21-17-18(7-8-22(21)32-15-10-19(11-16-32)30-25-28-12-4-13-29-25)24(34)27-14-9-23(33)37-31-38(35,36)20-5-2-1-3-6-20/h1-8,12-13,17,19,31H,9-11,14-16H2,(H,27,34)(H,28,29,30)