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

Systemtic Name: 1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-5-oxidanyl-piperidine-2-carboxylic acid Openeye Name: 5-hydroxy-1-[4-(o-tolylmethoxy)phenyl]sulfonyl-piperidine-2-carboxylic acid CAS Name: 5-hydroxy-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonyl-2-piperidinecarboxylic acid IUPAC Name: 5-hydroxy-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid Traditional Name: 5-hydroxy-1-[4-(2-methylbenzyl)oxyphenyl]sulfonyl-pipecolinic acid Formula: C20H23NO6S MolecularWeight: 405.46472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO6S/c1-14-4-2-3-5-15(14)13-27-17-7-9-18(10-8-17)28(25,26)21-12-16(22)6-11-19(21)20(23)24/h2-5,7-10,16,19,22H,6,11-13H2,1H3,(H,23,24)