[2-(2-acetamidoethyl)-1-benzofuran-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-(2-acetamidoethyl)-1-benzofuran-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-(2-acetamidoethyl)benzofuran-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(2-acetamidoethyl)-5-benzofuranyl] ester IUPAC Name: [2-(2-acetamidoethyl)-1-benzofuran-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-(2-acetamidoethyl)benzofuran-5-yl] ester Formula: C13H12F3NO5S MolecularWeight: 351.29829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC2=C(O1)C=CC(=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(=O)NCCC1=CC2=C(O1)C=CC(=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H12F3NO5S/c1-8(18)17-5-4-10-6-9-7-11(2-3-12(9)21-10)22-23(19,20)13(14,15)16/h2-3,6-7H,4-5H2,1H3,(H,17,18)