3-(3-ethylpiperidin-1-yl)sulfonyl-4-fluoranyl-benzoic acid

Systemtic Name: 3-(3-ethylpiperidin-1-yl)sulfonyl-4-fluoranyl-benzoic acid Openeye Name: 3-[(3-ethyl-1-piperidyl)sulfonyl]-4-fluoro-benzoic acid CAS Name: 3-[(3-ethyl-1-piperidinyl)sulfonyl]-4-fluorobenzoic acid IUPAC Name: 3-(3-ethylpiperidin-1-yl)sulfonyl-4-fluorobenzoic acid Traditional Name: 3-(3-ethylpiperidino)sulfonyl-4-fluoro-benzoic acid Formula: C14H18FNO4S MolecularWeight: 315.360423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18FNO4S/c1-2-10-4-3-7-16(9-10)21(19,20)13-8-11(14(17)18)5-6-12(13)15/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18)