3-(4-aminophenyl)-2-(trifluoromethylsulfonylamino)propanoic acid

Systemtic Name: 3-(4-aminophenyl)-2-(trifluoromethylsulfonylamino)propanoic acid Openeye Name: 3-(4-aminophenyl)-2-(trifluoromethylsulfonylamino)propanoic acid CAS Name: 3-(4-aminophenyl)-2-(trifluoromethylsulfonylamino)propanoic acid IUPAC Name: 3-(4-aminophenyl)-2-(trifluoromethylsulfonylamino)propanoic acid Traditional Name: 3-(4-aminophenyl)-2-(triflylamino)propionic acid Formula: C10H11F3N2O4S MolecularWeight: 312.26555

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NS(=O)(=O)C(F)(F)F)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NS(=O)(=O)C(F)(F)F)N

InChI

InChI=1S/C10H11F3N2O4S/c11-10(12,13)20(18,19)15-8(9(16)17)5-6-1-3-7(14)4-2-6/h1-4,8,15H,5,14H2,(H,16,17)