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

Systemtic Name: 1-[3-(2-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(2-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxylic acid CAS Name: 1-[3-[(2-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(2-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[(2-chlorophenyl)thio]propanoyl]isonipecotic acid Formula: C15H18ClNO3S MolecularWeight: 327.82632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CCSC2=CC=CC=C2Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CCSC2=CC=CC=C2Cl

InChI

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