4-[3-oxidanyl-3-oxidanylidene-2-[(phenylmethylsulfanyl)methyl]propyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[3-oxidanyl-3-oxidanylidene-2-[(phenylmethylsulfanyl)methyl]propyl]piperidine-1-carboxylic acid Openeye Name: 4-[2-(benzylsulfanylmethyl)-3-hydroxy-3-oxo-propyl]piperidine-1-carboxylic acid CAS Name: 4-[3-hydroxy-3-oxo-2-[(phenylmethylthio)methyl]propyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[2-(benzylsulfanylmethyl)-3-hydroxy-3-oxopropyl]piperidine-1-carboxylic acid Traditional Name: 4-[2-[(benzylthio)methyl]-3-hydroxy-3-keto-propyl]piperidine-1-carboxylic acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(CSCC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1CC(CSCC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H23NO4S/c19-16(20)15(12-23-11-14-4-2-1-3-5-14)10-13-6-8-18(9-7-13)17(21)22/h1-5,13,15H,6-12H2,(H,19,20)(H,21,22)