4-[methyl-[4-(trifluoromethyl)phenyl]sulfonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-[4-(trifluoromethyl)phenyl]sulfonyl-amino]butanoic acid Openeye Name: 4-[methyl-[4-(trifluoromethyl)phenyl]sulfonyl-amino]butanoic acid CAS Name: 4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[methyl-[4-(trifluoromethyl)phenyl]sulfonyl-amino]butyric acid Formula: C12H14F3NO4S MolecularWeight: 325.30407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14F3NO4S/c1-16(8-2-3-11(17)18)21(19,20)10-6-4-9(5-7-10)12(13,14)15/h4-7H,2-3,8H2,1H3,(H,17,18)