4-[methyl-[2-(trifluoromethylsulfonyl)phenyl]amino]butanoic acid

Systemtic Name: 4-[methyl-[2-(trifluoromethylsulfonyl)phenyl]amino]butanoic acid Openeye Name: 4-[N-methyl-2-(trifluoromethylsulfonyl)anilino]butanoic acid CAS Name: 4-[N-methyl-2-(trifluoromethylsulfonyl)anilino]butanoic acid IUPAC Name: 4-[N-methyl-2-(trifluoromethylsulfonyl)anilino]butanoic acid Traditional Name: 4-(N-methyl-2-triflyl-anilino)butyric acid Formula: C12H14F3NO4S MolecularWeight: 325.30407

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C1=CC=CC=C1S(=O)(=O)C(F)(F)F

Isomeric SMILES

CN(CCCC(=O)O)C1=CC=CC=C1S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H14F3NO4S/c1-16(8-4-7-11(17)18)9-5-2-3-6-10(9)21(19,20)12(13,14)15/h2-3,5-6H,4,7-8H2,1H3,(H,17,18)