4-[4-[3-(2-methoxyphenyl)sulfanylpropoxy]phenyl]-3-oxidanyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[4-[3-(2-methoxyphenyl)sulfanylpropoxy]phenyl]-3-oxidanyl-piperidine-1-carboxylic acid Openeye Name: 3-hydroxy-4-[4-[3-(2-methoxyphenyl)sulfanylpropoxy]phenyl]piperidine-1-carboxylic acid CAS Name: 3-hydroxy-4-[4-[3-[(2-methoxyphenyl)thio]propoxy]phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-hydroxy-4-[4-[3-(2-methoxyphenyl)sulfanylpropoxy]phenyl]piperidine-1-carboxylic acid Traditional Name: 3-hydroxy-4-[4-[3-[(2-methoxyphenyl)thio]propoxy]phenyl]piperidine-1-carboxylic acid Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1SCCCOC2=CC=C(C=C2)C3CCN(CC3O)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1SCCCOC2=CC=C(C=C2)C3CCN(CC3O)C(=O)O

InChI

InChI=1S/C22H27NO5S/c1-27-20-5-2-3-6-21(20)29-14-4-13-28-17-9-7-16(8-10-17)18-11-12-23(22(25)26)15-19(18)24/h2-3,5-10,18-19,24H,4,11-15H2,1H3,(H,25,26)