4-(4-methylphenyl)sulfonylsulfanylpiperidine-1-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)sulfonylsulfanylpiperidine-1-carboxylic acid Openeye Name: 4-(p-tolylsulfonylsulfanyl)piperidine-1-carboxylic acid CAS Name: 4-[(4-methylphenyl)sulfonylthio]-1-piperidinecarboxylic acid IUPAC Name: 4-(4-methylphenyl)sulfonylsulfanylpiperidine-1-carboxylic acid Traditional Name: 4-(tosylthio)piperidine-1-carboxylic acid Formula: C13H17NO4S2 MolecularWeight: 315.40838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2CCN(CC2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2CCN(CC2)C(=O)O

InChI

InChI=1S/C13H17NO4S2/c1-10-2-4-12(5-3-10)20(17,18)19-11-6-8-14(9-7-11)13(15)16/h2-5,11H,6-9H2,1H3,(H,15,16)