1-(3-phenylsulfanylpropanoyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(3-phenylsulfanylpropanoyl)piperidine-3-carboxylic acid Openeye Name: 1-(3-phenylsulfanylpropanoyl)piperidine-3-carboxylic acid CAS Name: 1-[1-oxo-3-(phenylthio)propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(3-phenylsulfanylpropanoyl)piperidine-3-carboxylic acid Traditional Name: 1-[3-(phenylthio)propanoyl]nipecotic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3S/c17-14(8-10-20-13-6-2-1-3-7-13)16-9-4-5-12(11-16)15(18)19/h1-3,6-7,12H,4-5,8-11H2,(H,18,19)