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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-10-3-2-4-12(9-10)19(17,18)14-7-5-11(6-8-14)13(15)16/h2-4,9,11H,5-8H2,1H3,(H,15,16)