2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]ethanoic acid Openeye Name: 2-[4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]acetic acid CAS Name: 2-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]acetic acid IUPAC Name: 2-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]acetic acid Traditional Name: 2-[4-(2-ethylpiperidino)sulfonylphenyl]acetic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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