4-(3-methylsulfanylphenyl)-4-oxidanyl-piperidine-1-carboxylic acid

Systemtic Name: 4-(3-methylsulfanylphenyl)-4-oxidanyl-piperidine-1-carboxylic acid Openeye Name: 4-hydroxy-4-(3-methylsulfanylphenyl)piperidine-1-carboxylic acid CAS Name: 4-hydroxy-4-[3-(methylthio)phenyl]-1-piperidinecarboxylic acid IUPAC Name: 4-hydroxy-4-(3-methylsulfanylphenyl)piperidine-1-carboxylic acid Traditional Name: 4-hydroxy-4-[3-(methylthio)phenyl]piperidine-1-carboxylic acid Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C2(CCN(CC2)C(=O)O)O

Isomeric SMILES

CSC1=CC=CC(=C1)C2(CCN(CC2)C(=O)O)O

InChI

InChI=1S/C13H17NO3S/c1-18-11-4-2-3-10(9-11)13(17)5-7-14(8-6-13)12(15)16/h2-4,9,17H,5-8H2,1H3,(H,15,16)