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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CC(CCC3C(=O)O)(C)O

Isomeric SMILES

CC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CC(CCC3C(=O)O)(C)O

InChI

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