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

Systemtic Name: 1-[4-(3-fluoranylphenoxy)phenyl]sulfonyl-3-oxidanyl-piperidine-3-carboxylic acid Openeye Name: 1-[4-(3-fluorophenoxy)phenyl]sulfonyl-3-hydroxy-piperidine-3-carboxylic acid CAS Name: 1-[4-(3-fluorophenoxy)phenyl]sulfonyl-3-hydroxy-3-piperidinecarboxylic acid IUPAC Name: 1-[4-(3-fluorophenoxy)phenyl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid Traditional Name: 1-[4-(3-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=C3)F)(C(=O)O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC(=CC=C3)F)(C(=O)O)O

InChI

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