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

Systemtic Name: 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid CAS Name: 1-[3-[(4-chlorophenyl)thio]-1-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-[(4-chlorophenyl)thio]propanoyl]nipecotic acid Formula: C15H18ClNO3S MolecularWeight: 327.82632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCSC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CCSC2=CC=C(C=C2)Cl)C(=O)O

InChI

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