2-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl-methyl-amino]acetic acid CAS Name: 2-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetic acid IUPAC Name: 2-[[2,5-bis(trifluoromethyl)phenyl]methylsulfonyl-methylamino]acetic acid Traditional Name: 2-[[2,5-bis(trifluoromethyl)benzyl]sulfonyl-methyl-amino]acetic acid Formula: C12H11F6NO4S MolecularWeight: 379.275459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)S(=O)(=O)CC1=C(C=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN(CC(=O)O)S(=O)(=O)CC1=C(C=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H11F6NO4S/c1-19(5-10(20)21)24(22,23)6-7-4-8(11(13,14)15)2-3-9(7)12(16,17)18/h2-4H,5-6H2,1H3,(H,20,21)