4-[(3-ethylpiperidin-1-yl)sulfonylmethyl]benzoic acid

Systemtic Name: 4-[(3-ethylpiperidin-1-yl)sulfonylmethyl]benzoic acid Openeye Name: 4-[(3-ethyl-1-piperidyl)sulfonylmethyl]benzoic acid CAS Name: 4-[(3-ethyl-1-piperidinyl)sulfonylmethyl]benzoic acid IUPAC Name: 4-[(3-ethylpiperidin-1-yl)sulfonylmethyl]benzoic acid Traditional Name: 4-[(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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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