1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]phenyl]sulfonyl-3-ethoxy-piperidine-3-carboxylic acid

Systemtic Name: 1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]phenyl]sulfonyl-3-ethoxy-piperidine-3-carboxylic acid Openeye Name: 1-[4-[(2-chloro-4-fluoro-phenyl)methoxy]phenyl]sulfonyl-3-ethoxy-piperidine-3-carboxylic acid CAS Name: 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-3-ethoxy-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-3-ethoxypiperidine-3-carboxylic acid Traditional Name: 1-[4-(2-chloro-4-fluoro-benzyl)oxyphenyl]sulfonyl-3-ethoxy-nipecotic acid Formula: C21H23ClFNO6S MolecularWeight: 471.926823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

CCOC1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C21H23ClFNO6S/c1-2-30-21(20(25)26)10-3-11-24(14-21)31(27,28)18-8-6-17(7-9-18)29-13-15-4-5-16(23)12-19(15)22/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,25,26)