3-sulfanyl-2-[[4-(trifluoromethylsulfonyl)phenyl]methylamino]propanoic acid

Systemtic Name: 3-sulfanyl-2-[[4-(trifluoromethylsulfonyl)phenyl]methylamino]propanoic acid Openeye Name: 3-sulfanyl-2-[[4-(trifluoromethylsulfonyl)phenyl]methylamino]propanoic acid CAS Name: 3-mercapto-2-[[4-(trifluoromethylsulfonyl)phenyl]methylamino]propanoic acid IUPAC Name: 3-sulfanyl-2-[[4-(trifluoromethylsulfonyl)phenyl]methylamino]propanoic acid Traditional Name: 3-mercapto-2-[(4-triflylbenzyl)amino]propionic acid Formula: C11H12F3NO4S2 MolecularWeight: 343.34249

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(CS)C(=O)O)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CNC(CS)C(=O)O)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C11H12F3NO4S2/c12-11(13,14)21(18,19)8-3-1-7(2-4-8)5-15-9(6-20)10(16)17/h1-4,9,15,20H,5-6H2,(H,16,17)