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

Systemtic Name: 1-(4-propylphenyl)sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-(4-propylphenyl)sulfonylpiperidine-3-carboxylic acid CAS Name: 1-(4-propylphenyl)sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-(4-propylphenyl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-(4-propylphenyl)sulfonylnipecotic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-2-4-12-6-8-14(9-7-12)21(19,20)16-10-3-5-13(11-16)15(17)18/h6-9,13H,2-5,10-11H2,1H3,(H,17,18)