phenylsulfonylamino 3-[[3-[2-oxidanyl-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]phenyl]carbonylamino]propanoate

Systemtic Name: phenylsulfonylamino 3-[[3-[2-oxidanyl-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: benzenesulfonamido 3-[[3-[2-hydroxy-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoyl]amino]propanoate CAS Name: 3-[[[3-[2-hydroxy-2-[(2-pyrimidinylamino)methyl]-1-pyrrolidinyl]phenyl]-oxomethyl]amino]propanoic acid benzenesulfonamido ester IUPAC Name: benzenesulfonamido 3-[[3-[2-hydroxy-2-[(pyrimidin-2-ylamino)methyl]pyrrolidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[3-[2-hydroxy-2-[(2-pyrimidylamino)methyl]pyrrolidino]benzoyl]amino]propionic acid benzenesulfonamido ester Formula: C25H28N6O6S MolecularWeight: 540.59142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC=CC(=C2)C(=O)NCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)(CNC4=NC=CC=N4)O

Isomeric SMILES

C1CC(N(C1)C2=CC=CC(=C2)C(=O)NCCC(=O)ONS(=O)(=O)C3=CC=CC=C3)(CNC4=NC=CC=N4)O

InChI

InChI=1S/C25H28N6O6S/c32-22(37-30-38(35,36)21-9-2-1-3-10-21)11-15-26-23(33)19-7-4-8-20(17-19)31-16-5-12-25(31,34)18-29-24-27-13-6-14-28-24/h1-4,6-10,13-14,17,30,34H,5,11-12,15-16,18H2,(H,26,33)(H,27,28,29)