3-[[2-(trifluoromethylsulfonyl)phenyl]amino]butanoic acid

Systemtic Name: 3-[[2-(trifluoromethylsulfonyl)phenyl]amino]butanoic acid Openeye Name: 3-[2-(trifluoromethylsulfonyl)anilino]butanoic acid CAS Name: 3-[2-(trifluoromethylsulfonyl)anilino]butanoic acid IUPAC Name: 3-[2-(trifluoromethylsulfonyl)anilino]butanoic acid Traditional Name: 3-(2-triflylanilino)butyric acid Formula: C11H12F3NO4S MolecularWeight: 311.27749

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=CC=CC=C1S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(CC(=O)O)NC1=CC=CC=C1S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C11H12F3NO4S/c1-7(6-10(16)17)15-8-4-2-3-5-9(8)20(18,19)11(12,13)14/h2-5,7,15H,6H2,1H3,(H,16,17)