1-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[2,5-bis(chloranyl)phenyl]sulfanylethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(2,5-dichlorophenyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(2,5-dichlorophenyl)thio]acetyl]nipecotic acid Formula: C14H15Cl2NO3S MolecularWeight: 348.2448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Cl2NO3S/c15-10-3-4-11(16)12(6-10)21-8-13(18)17-5-1-2-9(7-17)14(19)20/h3-4,6,9H,1-2,5,7-8H2,(H,19,20)