3-[4-(trifluoromethylsulfonyl)piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(trifluoromethylsulfonyl)piperazin-1-yl]propanoic acid Openeye Name: 3-[4-(trifluoromethylsulfonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-(trifluoromethylsulfonyl)-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(trifluoromethylsulfonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-(4-triflylpiperazino)propionic acid Formula: C8H13F3N2O4S MolecularWeight: 290.26003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCC(=O)O)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C8H13F3N2O4S/c9-8(10,11)18(16,17)13-5-3-12(4-6-13)2-1-7(14)15/h1-6H2,(H,14,15)