phenylsulfonylamino 3-[[2-fluoranyl-5-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate

Systemtic Name: phenylsulfonylamino 3-[[2-fluoranyl-5-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: benzenesulfonamido 3-[[2-fluoro-5-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[[[2-fluoro-5-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]-oxomethyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[2-fluoro-5-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[2-fluoro-5-[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=CC(=C(C=C3)F)C(=O)NCCC(=O)ONS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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