3-[[2-oxidanyl-4-[2-(pyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid hydrochloride

Systemtic Name: 3-[[2-oxidanyl-4-[2-(pyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid hydrochloride Openeye Name: 2-(benzenesulfonamido)-3-[[2-hydroxy-4-[2-(pyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid hydrochloride CAS Name: 2-(benzenesulfonamido)-3-[[[2-hydroxy-4-[2-(2-pyrimidinylamino)ethoxy]phenyl]-oxomethyl]amino]propanoic acid hydrochloride IUPAC Name: 2-(benzenesulfonamido)-3-[[2-hydroxy-4-[2-(pyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid hydrochloride Traditional Name: 2-(benzenesulfonamido)-3-[[2-hydroxy-4-[2-(2-pyrimidylamino)ethoxy]benzoyl]amino]propionic acid hydrochloride Formula: C22H24ClN5O7S MolecularWeight: 537.97326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=C(C=C(C=C2)OCCNC3=NC=CC=N3)O)C(=O)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=C(C=C(C=C2)OCCNC3=NC=CC=N3)O)C(=O)O.Cl

InChI

InChI=1S/C22H23N5O7S.ClH/c28-19-13-15(34-12-11-25-22-23-9-4-10-24-22)7-8-17(19)20(29)26-14-18(21(30)31)27-35(32,33)16-5-2-1-3-6-16;/h1-10,13,18,27-28H,11-12,14H2,(H,26,29)(H,30,31)(H,23,24,25);1H