1-[4-[(2-chlorophenyl)methoxy]phenyl]sulfonyl-3-methyl-3-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 1-[4-[(2-chlorophenyl)methoxy]phenyl]sulfonyl-3-methyl-3-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(2-chlorophenyl)methoxy]phenyl]sulfonyl-3-hydroxy-3-methyl-piperidine-2-carboxylic acid CAS Name: 1-[4-[(2-chlorophenyl)methoxy]phenyl]sulfonyl-3-hydroxy-3-methyl-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(2-chlorophenyl)methoxy]phenyl]sulfonyl-3-hydroxy-3-methylpiperidine-2-carboxylic acid Traditional Name: 1-[4-(2-chlorobenzyl)oxyphenyl]sulfonyl-3-hydroxy-3-methyl-pipecolinic acid Formula: C20H22ClNO6S MolecularWeight: 439.90978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3Cl)O

Isomeric SMILES

CC1(CCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3Cl)O

InChI

InChI=1S/C20H22ClNO6S/c1-20(25)11-4-12-22(18(20)19(23)24)29(26,27)16-9-7-15(8-10-16)28-13-14-5-2-3-6-17(14)21/h2-3,5-10,18,25H,4,11-13H2,1H3,(H,23,24)