1-[3-(methylsulfanylmethyl)phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3-(methylsulfanylmethyl)phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(methylsulfanylmethyl)benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[(methylthio)methyl]benzoyl]isonipecotic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-20-10-11-3-2-4-13(9-11)14(17)16-7-5-12(6-8-16)15(18)19/h2-4,9,12H,5-8,10H2,1H3,(H,18,19)