1-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(m-tolylmethylsulfanyl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(3-methylphenyl)methylthio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(3-methylphenyl)methylsulfanyl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(3-methylbenzyl)thio]acetyl]isonipecotic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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