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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC=C(C=C2)S(=O)(=O)N3CC(CCC3C(=O)O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC=C(C=C2)S(=O)(=O)N3CC(CCC3C(=O)O)O)C

InChI

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