1-(4-methylphenyl)sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-(p-tolylsulfonyl)piperidine-3-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-tosylnipecotic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-10-4-6-12(7-5-10)19(17,18)14-8-2-3-11(9-14)13(15)16/h4-7,11H,2-3,8-9H2,1H3,(H,15,16)