1-[(4-methylphenyl)methylsulfonyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-methylphenyl)methylsulfonyl]piperidine-2-carboxylic acid Openeye Name: 1-(p-tolylmethylsulfonyl)piperidine-2-carboxylic acid CAS Name: 1-[(4-methylphenyl)methylsulfonyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylphenyl)methylsulfonyl]piperidine-2-carboxylic acid Traditional Name: 1-(4-methylbenzyl)sulfonylpipecolinic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)N2CCCCC2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)N2CCCCC2C(=O)O

InChI

InChI=1S/C14H19NO4S/c1-11-5-7-12(8-6-11)10-20(18,19)15-9-3-2-4-13(15)14(16)17/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)