2,6-bis(fluoranyl)-3-(3-methylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2,6-bis(fluoranyl)-3-(3-methylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 2,6-difluoro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoic acid CAS Name: 2,6-difluoro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 2,6-difluoro-3-(3-methylpiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 2,6-difluoro-3-(3-methylpiperidino)sulfonyl-benzoic acid Formula: C13H15F2NO4S MolecularWeight: 319.324306

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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

CC1CCCN(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)