5-(4-bromanylpiperidin-1-yl)sulfonyl-2-fluoranyl-benzoic acid

Systemtic Name: 5-(4-bromanylpiperidin-1-yl)sulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-[(4-bromo-1-piperidyl)sulfonyl]-2-fluoro-benzoic acid CAS Name: 5-[(4-bromo-1-piperidinyl)sulfonyl]-2-fluorobenzoic acid IUPAC Name: 5-(4-bromopiperidin-1-yl)sulfonyl-2-fluorobenzoic acid Traditional Name: 5-(4-bromopiperidino)sulfonyl-2-fluoro-benzoic acid Formula: C12H13BrFNO4S MolecularWeight: 366.203323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1Br)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O

Isomeric SMILES

C1CN(CCC1Br)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O

InChI

InChI=1S/C12H13BrFNO4S/c13-8-3-5-15(6-4-8)20(18,19)9-1-2-11(14)10(7-9)12(16)17/h1-2,7-8H,3-6H2,(H,16,17)