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

Systemtic Name: 1-[2-[2,5-bis(chloranyl)phenyl]sulfanylethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2,5-dichlorophenyl)sulfanylethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(2,5-dichlorophenyl)thio]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,5-dichlorophenyl)sulfanylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(2,5-dichlorophenyl)thio]ethyl]nipecotic acid Formula: C14H17Cl2NO2S MolecularWeight: 334.26128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17Cl2NO2S/c15-11-3-4-12(16)13(8-11)20-7-6-17-5-1-2-10(9-17)14(18)19/h3-4,8,10H,1-2,5-7,9H2,(H,18,19)