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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-20-10-11-4-6-12(7-5-11)14(17)16-8-2-3-13(9-16)15(18)19/h4-7,13H,2-3,8-10H2,1H3,(H,18,19)