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

Systemtic Name: 3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-3-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 3-hydroxy-3-methyl-1-[4-(o-tolylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 3-hydroxy-3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-3-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 3-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:

CC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3C(=O)O)(C)O

Isomeric SMILES

CC1=CC=CC=C1COC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3C(=O)O)(C)O

InChI

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