[3-(2-acetamidoethyl)-1H-indol-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(2-acetamidoethyl)-1H-indol-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [3-(2-acetamidoethyl)-1H-indol-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-(2-acetamidoethyl)-1H-indol-5-yl] ester IUPAC Name: [3-(2-acetamidoethyl)-1H-indol-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3-(2-acetamidoethyl)-1H-indol-5-yl] ester Formula: C13H13F3N2O4S MolecularWeight: 350.31353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CNC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(=O)NCCC1=CNC2=C1C=C(C=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H13F3N2O4S/c1-8(19)17-5-4-9-7-18-12-3-2-10(6-11(9)12)22-23(20,21)13(14,15)16/h2-3,6-7,18H,4-5H2,1H3,(H,17,19)