2-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonyl-1-methyl-piperidine-4-carboxylic acid

Systemtic Name: 2-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonyl-1-methyl-piperidine-4-carboxylic acid Openeye Name: 2-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonyl-1-methyl-piperidine-4-carboxylic acid CAS Name: 2-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonyl-1-methyl-4-piperidinecarboxylic acid IUPAC Name: 2-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonyl-1-methylpiperidine-4-carboxylic acid Traditional Name: 2-[4-(4-chlorobenzyl)oxyphenyl]sulfonyl-1-methyl-isonipecotic acid Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CN1CCC(CC1S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C20H22ClNO5S/c1-22-11-10-15(20(23)24)12-19(22)28(25,26)18-8-6-17(7-9-18)27-13-14-2-4-16(21)5-3-14/h2-9,15,19H,10-13H2,1H3,(H,23,24)