3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-5-oxidanyl-piperidine-2-carboxylic acid

Systemtic Name: 3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-5-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 5-hydroxy-3-methyl-1-[4-(o-tolylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 5-hydroxy-3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 5-hydroxy-3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 5-hydroxy-3-methyl-1-[4-(2-methylbenzyl)oxyphenyl]sulfonyl-pipecolinic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C)O

Isomeric SMILES

CC1CC(CN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3C)O

InChI

InChI=1S/C21H25NO6S/c1-14-5-3-4-6-16(14)13-28-18-7-9-19(10-8-18)29(26,27)22-12-17(23)11-15(2)20(22)21(24)25/h3-10,15,17,20,23H,11-13H2,1-2H3,(H,24,25)