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

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(4-chlorophenyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylacetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(4-chlorophenyl)thio]acetyl]nipecotic acid Formula: C14H16ClNO3S MolecularWeight: 313.79974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C14H16ClNO3S/c15-11-3-5-12(6-4-11)20-9-13(17)16-7-1-2-10(8-16)14(18)19/h3-6,10H,1-2,7-9H2,(H,18,19)