2-[1-[2-(4-methylphenyl)sulfanylethanoyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[2-(4-methylphenyl)sulfanylethanoyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-[2-(p-tolylsulfanyl)acetyl]-4-piperidyl]acetic acid CAS Name: 2-[1-[2-[(4-methylphenyl)thio]-1-oxoethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[1-[2-(4-methylphenyl)sulfanylacetyl]piperidin-4-yl]acetic acid Traditional Name: 2-[1-[2-(p-tolylthio)acetyl]-4-piperidyl]acetic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CCC(CC2)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CCC(CC2)CC(=O)O

InChI

InChI=1S/C16H21NO3S/c1-12-2-4-14(5-3-12)21-11-15(18)17-8-6-13(7-9-17)10-16(19)20/h2-5,13H,6-11H2,1H3,(H,19,20)