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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CSCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C15H18ClNO3S/c16-13-5-3-11(4-6-13)9-21-10-14(18)17-7-1-2-12(8-17)15(19)20/h3-6,12H,1-2,7-10H2,(H,19,20)