(2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate CAS Name: (2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate Traditional Name: (2S)-4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]valerate Formula: C13H15F3NO4S- MolecularWeight: 338.32271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C13H16F3NO4S/c1-8(2)6-11(12(18)19)17-22(20,21)10-5-3-4-9(7-10)13(14,15)16/h3-5,7-8,11,17H,6H2,1-2H3,(H,18,19)/p-1/t11-/m0/s1