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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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