1-[4-(2-fluoranylphenoxy)phenyl]sulfonyl-3-oxidanyl-piperidine-3-carboxylic acid

Systemtic Name: 1-[4-(2-fluoranylphenoxy)phenyl]sulfonyl-3-oxidanyl-piperidine-3-carboxylic acid Openeye Name: 1-[4-(2-fluorophenoxy)phenyl]sulfonyl-3-hydroxy-piperidine-3-carboxylic acid CAS Name: 1-[4-(2-fluorophenoxy)phenyl]sulfonyl-3-hydroxy-3-piperidinecarboxylic acid IUPAC Name: 1-[4-(2-fluorophenoxy)phenyl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid Traditional Name: 1-[4-(2-fluorophenoxy)phenyl]sulfonyl-3-hydroxy-nipecotic acid Formula: C18H18FNO6S MolecularWeight: 395.402023

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3F)(C(=O)O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3F)(C(=O)O)O

InChI

InChI=1S/C18H18FNO6S/c19-15-4-1-2-5-16(15)26-13-6-8-14(9-7-13)27(24,25)20-11-3-10-18(23,12-20)17(21)22/h1-2,4-9,23H,3,10-12H2,(H,21,22)