2-[[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-4-(methylthio)butyric acid Formula: C12H13ClF3NO4S2 MolecularWeight: 391.81413

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)Cl

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)Cl

InChI

InChI=1S/C12H13ClF3NO4S2/c1-22-5-4-9(11(18)19)17-23(20,21)10-6-7(12(14,15)16)2-3-8(10)13/h2-3,6,9,17H,4-5H2,1H3,(H,18,19)