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

Systemtic Name: 1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfonyl-4-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfonyl-4-hydroxy-piperidine-2-carboxylic acid CAS Name: 1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfonyl-4-hydroxy-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidine-2-carboxylic acid Traditional Name: 1-[4-(3,5-dimethylbenzyl)oxyphenyl]sulfonyl-4-hydroxy-pipecolinic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3C(=O)O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3C(=O)O)O)C

InChI

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