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

Systemtic Name: tert-butyl 3-[[2-fluoranyl-4-[3-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoate Openeye Name: tert-butyl 2-(benzenesulfonamido)-3-[[2-fluoro-4-[3-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 2-(benzenesulfonamido)-3-[[[2-fluoro-4-[3-(2-pyrimidinylamino)-1-piperidinyl]phenyl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzenesulfonamido)-3-[[2-fluoro-4-[3-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 2-(benzenesulfonamido)-3-[[2-fluoro-4-[3-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid tert-butyl ester Formula: C29H35FN6O5S MolecularWeight: 598.688803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNC(=O)C1=C(C=C(C=C1)N2CCCC(C2)NC3=NC=CC=N3)F)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C(CNC(=O)C1=C(C=C(C=C1)N2CCCC(C2)NC3=NC=CC=N3)F)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H35FN6O5S/c1-29(2,3)41-27(38)25(35-42(39,40)22-10-5-4-6-11-22)18-33-26(37)23-13-12-21(17-24(23)30)36-16-7-9-20(19-36)34-28-31-14-8-15-32-28/h4-6,8,10-15,17,20,25,35H,7,9,16,18-19H2,1-3H3,(H,33,37)(H,31,32,34)