4-[4-(4-bromophenyl)-4-fluoranyl-piperidin-1-yl]sulfonyloxane-4-carboxylic acid

Systemtic Name: 4-[4-(4-bromophenyl)-4-fluoranyl-piperidin-1-yl]sulfonyloxane-4-carboxylic acid Openeye Name: 4-[[4-(4-bromophenyl)-4-fluoro-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[4-(4-bromophenyl)-4-fluoro-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid IUPAC Name: 4-[4-(4-bromophenyl)-4-fluoropiperidin-1-yl]sulfonyloxane-4-carboxylic acid Traditional Name: 4-[4-(4-bromophenyl)-4-fluoro-piperidino]sulfonyltetrahydropyran-4-carboxylic acid Formula: C17H21BrFNO5S MolecularWeight: 450.319743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Br)F)S(=O)(=O)C3(CCOCC3)C(=O)O

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Br)F)S(=O)(=O)C3(CCOCC3)C(=O)O

InChI

InChI=1S/C17H21BrFNO5S/c18-14-3-1-13(2-4-14)16(19)5-9-20(10-6-16)26(23,24)17(15(21)22)7-11-25-12-8-17/h1-4H,5-12H2,(H,21,22)