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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1CCSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CN1CCCCC1CCSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H21NO2S/c1-16-10-5-4-6-12(16)9-11-19-14-8-3-2-7-13(14)15(17)18/h2-3,7-8,12H,4-6,9-11H2,1H3,(H,17,18)