1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotate Formula: C12H12F2NO4S- MolecularWeight: 304.289786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO4S/c13-10-2-1-9(7-11(10)14)20(18,19)15-5-3-8(4-6-15)12(16)17/h1-2,7-8H,3-6H2,(H,16,17)/p-1