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

Systemtic Name: 1-[3-(2-chlorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[3-(2-chlorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid CAS Name: 1-[3-[(2-chlorophenyl)thio]-1-oxopropyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[3-(2-chlorophenyl)sulfanylpropanoyl]piperidine-2-carboxylic acid Traditional Name: 1-[3-[(2-chlorophenyl)thio]propanoyl]pipecolinic acid Formula: C15H18ClNO3S MolecularWeight: 327.82632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)CCSC2=CC=CC=C2Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)CCSC2=CC=CC=C2Cl

InChI

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