1-(4-propylsulfonylphenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(4-propylsulfonylphenyl)piperidine-3-carboxylic acid Openeye Name: 1-(4-propylsulfonylphenyl)piperidine-3-carboxylic acid CAS Name: 1-(4-propylsulfonylphenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(4-propylsulfonylphenyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-propylsulfonylphenyl)nipecotic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)N2CCCC(C2)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-2-10-21(19,20)14-7-5-13(6-8-14)16-9-3-4-12(11-16)15(17)18/h5-8,12H,2-4,9-11H2,1H3,(H,17,18)