5-bromanyl-2-fluoranyl-3-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-(3-oxidanylpiperidin-1-yl)sulfonyl-benzoic acid Openeye Name: 5-bromo-2-fluoro-3-[(3-hydroxy-1-piperidyl)sulfonyl]benzoic acid CAS Name: 5-bromo-2-fluoro-3-[(3-hydroxy-1-piperidinyl)sulfonyl]benzoic acid IUPAC Name: 5-bromo-2-fluoro-3-(3-hydroxypiperidin-1-yl)sulfonylbenzoic acid Traditional Name: 5-bromo-2-fluoro-3-(3-hydroxypiperidino)sulfonyl-benzoic acid Formula: C12H13BrFNO5S MolecularWeight: 382.202723

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=C(C(=CC(=C2)Br)C(=O)O)F)O

InChI

InChI=1S/C12H13BrFNO5S/c13-7-4-9(12(17)18)11(14)10(5-7)21(19,20)15-3-1-2-8(16)6-15/h4-5,8,16H,1-3,6H2,(H,17,18)