1-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(2,5-dichlorophenyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(2,5-dichlorophenyl)thio]acetyl]isonipecotic acid Formula: C14H15Cl2NO3S MolecularWeight: 348.2448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C14H15Cl2NO3S/c15-10-1-2-11(16)12(7-10)21-8-13(18)17-5-3-9(4-6-17)14(19)20/h1-2,7,9H,3-6,8H2,(H,19,20)