(2S)-1-(3-methylphenyl)sulfonylpiperidine-2-carboxylic acid

Systemtic Name: (2S)-1-(3-methylphenyl)sulfonylpiperidine-2-carboxylic acid Openeye Name: (2S)-1-(m-tolylsulfonyl)piperidine-2-carboxylic acid CAS Name: (2S)-1-(3-methylphenyl)sulfonyl-2-piperidinecarboxylic acid IUPAC Name: (2S)-1-(3-methylphenyl)sulfonylpiperidine-2-carboxylic acid Traditional Name: (2S)-1-(m-tolylsulfonyl)pipecolinic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-10-5-4-6-11(9-10)19(17,18)14-8-3-2-7-12(14)13(15)16/h4-6,9,12H,2-3,7-8H2,1H3,(H,15,16)/t12-/m0/s1