3-[(3-ethylpiperidin-1-yl)sulfonylmethyl]benzoic acid

Systemtic Name: 3-[(3-ethylpiperidin-1-yl)sulfonylmethyl]benzoic acid Openeye Name: 3-[(3-ethyl-1-piperidyl)sulfonylmethyl]benzoic acid CAS Name: 3-[(3-ethyl-1-piperidinyl)sulfonylmethyl]benzoic acid IUPAC Name: 3-[(3-ethylpiperidin-1-yl)sulfonylmethyl]benzoic acid Traditional Name: 3-[(3-ethylpiperidino)sulfonylmethyl]benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCN(C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCC1CCCN(C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-2-12-6-4-8-16(10-12)21(19,20)11-13-5-3-7-14(9-13)15(17)18/h3,5,7,9,12H,2,4,6,8,10-11H2,1H3,(H,17,18)