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

Systemtic Name: 1-[2-[(3-chlorophenyl)methylsulfanyl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(3-chlorobenzyl)thio]acetyl]isonipecotic acid Formula: C15H18ClNO3S MolecularWeight: 327.82632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSCC2=CC(=CC=C2)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H18ClNO3S/c16-13-3-1-2-11(8-13)9-21-10-14(18)17-6-4-12(5-7-17)15(19)20/h1-3,8,12H,4-7,9-10H2,(H,19,20)