2-[4-[2-(4-methylphenyl)sulfanylethyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(4-methylphenyl)sulfanylethyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(p-tolylsulfanyl)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(4-methylphenyl)thio]ethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(4-methylphenyl)sulfanylethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-(p-tolylthio)ethyl]piperazino]acetic acid Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCN2CCN(CC2)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCN2CCN(CC2)CC(=O)O

InChI

InChI=1S/C15H22N2O2S/c1-13-2-4-14(5-3-13)20-11-10-16-6-8-17(9-7-16)12-15(18)19/h2-5H,6-12H2,1H3,(H,18,19)