1-(2-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(2-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylic acid Openeye Name: 1-(2-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylic acid CAS Name: 1-(2-methyl-4-methylsulfonylphenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(2-methyl-4-methylsulfonylphenyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-mesyl-2-methyl-phenyl)nipecotic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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