2-[[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(methylthio)butyric acid Formula: C12H13ClF3NO4S2 MolecularWeight: 391.81413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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