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

Systemtic Name: 2-azanyl-3-[3-ethenyl-4-(trifluoromethylsulfonylamino)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(trifluoromethylsulfonylamino)-3-vinyl-phenyl]propanoic acid CAS Name: 2-amino-3-[3-ethenyl-4-(trifluoromethylsulfonylamino)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-ethenyl-4-(trifluoromethylsulfonylamino)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(triflylamino)-3-vinyl-phenyl]propionic acid Formula: C12H13F3N2O4S MolecularWeight: 338.30283

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(C=CC(=C1)CC(C(=O)O)N)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

C=CC1=C(C=CC(=C1)CC(C(=O)O)N)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O4S/c1-2-8-5-7(6-9(16)11(18)19)3-4-10(8)17-22(20,21)12(13,14)15/h2-5,9,17H,1,6,16H2,(H,18,19)