4-(2-piperidin-1-ylethylsulfanyl)benzoic acid

Systemtic Name: 4-(2-piperidin-1-ylethylsulfanyl)benzoic acid Openeye Name: 4-[2-(1-piperidyl)ethylsulfanyl]benzoic acid CAS Name: 4-[2-(1-piperidinyl)ethylthio]benzoic acid IUPAC Name: 4-(2-piperidin-1-ylethylsulfanyl)benzoic acid Traditional Name: 4-(2-piperidinoethylthio)benzoic acid Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H19NO2S/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2,(H,16,17)