4-[4-morpholin-4-yl-2-(trifluoromethylsulfonyloxy)phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-morpholin-4-yl-2-(trifluoromethylsulfonyloxy)phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-morpholino-2-(trifluoromethylsulfonyloxy)phenyl]piperazine-1-carboxylic acid CAS Name: 4-[4-(4-morpholinyl)-2-(trifluoromethylsulfonyloxy)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-morpholin-4-yl-2-(trifluoromethylsulfonyloxy)phenyl]piperazine-1-carboxylic acid Traditional Name: 4-(4-morpholino-2-triflyloxy-phenyl)piperazine-1-carboxylic acid Formula: C16H20F3N3O6S MolecularWeight: 439.40671

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)N3CCOCC3)OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)N3CCOCC3)OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H20F3N3O6S/c17-16(18,19)29(25,26)28-14-11-12(20-7-9-27-10-8-20)1-2-13(14)21-3-5-22(6-4-21)15(23)24/h1-2,11H,3-10H2,(H,23,24)