1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotate Formula: C13H13F3NO4S- MolecularWeight: 336.30683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)[O-])S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H14F3NO4S/c14-13(15,16)10-2-1-3-11(8-10)22(20,21)17-6-4-9(5-7-17)12(18)19/h1-3,8-9H,4-7H2,(H,18,19)/p-1