2,6-bis(fluoranyl)-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: 2,6-bis(fluoranyl)-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: 2,6-difluoro-3-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2,6-difluoro-3-[(4-methyl-1-piperidinyl)sulfonyl]benzoate IUPAC Name: 2,6-difluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2,6-difluoro-3-(4-methylpiperidino)sulfonyl-benzoate Formula: C13H14F2NO4S- MolecularWeight: 318.316366

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)F)C(=O)[O-])F

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)F)C(=O)[O-])F

InChI

InChI=1S/C13H15F2NO4S/c1-8-4-6-16(7-5-8)21(19,20)10-3-2-9(14)11(12(10)15)13(17)18/h2-3,8H,4-7H2,1H3,(H,17,18)/p-1