2-azanyl-3-[3-(oxiran-2-yl)-4-(trifluoromethylsulfonylamino)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(oxiran-2-yl)-4-(trifluoromethylsulfonylamino)phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(oxiran-2-yl)-4-(trifluoromethylsulfonylamino)phenyl]propanoic acid CAS Name: 2-amino-3-[3-(2-oxiranyl)-4-(trifluoromethylsulfonylamino)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(oxiran-2-yl)-4-(trifluoromethylsulfonylamino)phenyl]propanoic acid Traditional Name: 2-amino-3-[3-(oxiran-2-yl)-4-(triflylamino)phenyl]propionic acid Formula: C12H13F3N2O5S MolecularWeight: 354.30223

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)C2=C(C=CC(=C2)CC(C(=O)O)N)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1C(O1)C2=C(C=CC(=C2)CC(C(=O)O)N)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O5S/c13-12(14,15)23(20,21)17-9-2-1-6(4-8(16)11(18)19)3-7(9)10-5-22-10/h1-3,8,10,17H,4-5,16H2,(H,18,19)