2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(trifluoromethylsulfonyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(trifluoromethylsulfonyl)piperazin-1-yl]acetic acid Traditional Name: 2-(4-triflylpiperazino)acetic acid Formula: C7H11F3N2O4S MolecularWeight: 276.23345

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC(=O)O)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C7H11F3N2O4S/c8-7(9,10)17(15,16)12-3-1-11(2-4-12)5-6(13)14/h1-5H2,(H,13,14)