4-[(2-ethylpiperidin-1-yl)sulfonylmethyl]benzoic acid

Systemtic Name: 4-[(2-ethylpiperidin-1-yl)sulfonylmethyl]benzoic acid Openeye Name: 4-[(2-ethyl-1-piperidyl)sulfonylmethyl]benzoic acid CAS Name: 4-[(2-ethyl-1-piperidinyl)sulfonylmethyl]benzoic acid IUPAC Name: 4-[(2-ethylpiperidin-1-yl)sulfonylmethyl]benzoic acid Traditional Name: 4-[(2-ethylpiperidino)sulfonylmethyl]benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)CC2=CC=C(C=C2)C(=O)O

InChI

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