4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]benzoic acid

Systemtic Name: 4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]benzoic acid Openeye Name: 4-[2-(1-methyl-2-piperidyl)ethylsulfanyl]benzoic acid CAS Name: 4-[2-(1-methyl-2-piperidinyl)ethylthio]benzoic acid IUPAC Name: 4-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]benzoic acid Traditional Name: 4-[2-(1-methyl-2-piperidyl)ethylthio]benzoic acid Formula: C15H21NO2S MolecularWeight: 279.39774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1CCSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1CCCCC1CCSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H21NO2S/c1-16-10-3-2-4-13(16)9-11-19-14-7-5-12(6-8-14)15(17)18/h5-8,13H,2-4,9-11H2,1H3,(H,17,18)