2-[[3-chloranyl-5-(trifluoromethyl)phenyl]methylsulfonyl-ethyl-amino]ethanoic acid

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)phenyl]methylsulfonyl-ethyl-amino]ethanoic acid Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)phenyl]methylsulfonyl-ethyl-amino]acetic acid CAS Name: 2-[[3-chloro-5-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetic acid IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)phenyl]methylsulfonyl-ethylamino]acetic acid Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)benzyl]sulfonyl-ethyl-amino]acetic acid Formula: C12H13ClF3NO4S MolecularWeight: 359.74913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)O)S(=O)(=O)CC1=CC(=CC(=C1)Cl)C(F)(F)F

Isomeric SMILES

CCN(CC(=O)O)S(=O)(=O)CC1=CC(=CC(=C1)Cl)C(F)(F)F

InChI

InChI=1S/C12H13ClF3NO4S/c1-2-17(6-11(18)19)22(20,21)7-8-3-9(12(14,15)16)5-10(13)4-8/h3-5H,2,6-7H2,1H3,(H,18,19)