2,6-bis(fluoranyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: 2,6-bis(fluoranyl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: 2,6-difluoro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 2,6-difluoro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoate IUPAC Name: 2,6-difluoro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 2,6-difluoro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoate Formula: C13H14F2NO4S- MolecularWeight: 318.316366

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C(=C(C=C2)F)C(=O)[O-])F

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C(=C(C=C2)F)C(=O)[O-])F

InChI

InChI=1S/C13H15F2NO4S/c1-8-3-2-6-16(7-8)21(19,20)10-5-4-9(14)11(12(10)15)13(17)18/h4-5,8H,2-3,6-7H2,1H3,(H,17,18)/p-1/t8-/m0/s1