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

Systemtic Name: 1-[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]phenyl]sulfonyl-3-methoxy-piperidine-3-carboxylic acid Openeye Name: 1-[4-[(2-chloro-4-fluoro-phenyl)methoxy]phenyl]sulfonyl-3-methoxy-piperidine-3-carboxylic acid CAS Name: 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-3-methoxy-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-3-methoxypiperidine-3-carboxylic acid Traditional Name: 1-[4-(2-chloro-4-fluoro-benzyl)oxyphenyl]sulfonyl-3-methoxy-nipecotic acid Formula: C20H21ClFNO6S MolecularWeight: 457.900243

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

COC1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C20H21ClFNO6S/c1-28-20(19(24)25)9-2-10-23(13-20)30(26,27)17-7-5-16(6-8-17)29-12-14-3-4-15(22)11-18(14)21/h3-8,11H,2,9-10,12-13H2,1H3,(H,24,25)