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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC2=CC=C(C=C2)S(=O)(=O)N3CCC(C[C@@H]3C(=O)O)O

InChI

InChI=1S/C21H25NO6S/c1-14-3-4-15(2)16(11-14)13-28-18-5-7-19(8-6-18)29(26,27)22-10-9-17(23)12-20(22)21(24)25/h3-8,11,17,20,23H,9-10,12-13H2,1-2H3,(H,24,25)/t17?,20-/m1/s1