1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(2-chloro-5-methylsulfanyl-benzoyl)piperidine-3-carboxylic acid CAS Name: 1-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-[2-chloro-5-(methylthio)benzoyl]nipecotic acid Formula: C14H16ClNO3S MolecularWeight: 313.79974

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C14H16ClNO3S/c1-20-10-4-5-12(15)11(7-10)13(17)16-6-2-3-9(8-16)14(18)19/h4-5,7,9H,2-3,6,8H2,1H3,(H,18,19)