5-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]sulfonyl-2-chloranyl-4-fluoranyl-benzoic acid

Systemtic Name: 5-[4-(4-bromophenyl)-4-oxidanyl-piperidin-1-yl]sulfonyl-2-chloranyl-4-fluoranyl-benzoic acid Openeye Name: 5-[[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]sulfonyl]-2-chloro-4-fluoro-benzoic acid CAS Name: 5-[[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]sulfonyl]-2-chloro-4-fluorobenzoic acid IUPAC Name: 5-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]sulfonyl-2-chloro-4-fluorobenzoic acid Traditional Name: 5-[4-(4-bromophenyl)-4-hydroxy-piperidino]sulfonyl-2-chloro-4-fluoro-benzoic acid Formula: C18H16BrClFNO5S MolecularWeight: 492.743743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Br)O)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Br)O)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)F

InChI

InChI=1S/C18H16BrClFNO5S/c19-12-3-1-11(2-4-12)18(25)5-7-22(8-6-18)28(26,27)16-9-13(17(23)24)14(20)10-15(16)21/h1-4,9-10,25H,5-8H2,(H,23,24)