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

Systemtic Name: 1-[2-[2,5-bis(chloranyl)phenyl]sulfanylethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2,5-dichlorophenyl)sulfanylethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(2,5-dichlorophenyl)thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,5-dichlorophenyl)sulfanylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(2,5-dichlorophenyl)thio]ethyl]isonipecotic acid Formula: C14H17Cl2NO2S MolecularWeight: 334.26128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCSC2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)CCSC2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C14H17Cl2NO2S/c15-11-1-2-12(16)13(9-11)20-8-7-17-5-3-10(4-6-17)14(18)19/h1-2,9-10H,3-8H2,(H,18,19)