[2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-oxidanylidenepropyl)indol-5-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-oxidanylidenepropyl)indol-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-acetonyl-2-methyl-1-(p-tolylsulfonyl)indol-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-oxopropyl)-5-indolyl] ester IUPAC Name: [2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-oxopropyl)indol-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (4-acetonyl-2-methyl-1-tosyl-indol-5-yl) ester Formula: C20H18F3NO6S2 MolecularWeight: 489.48523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C=CC(=C3CC(=O)C)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C=CC(=C3CC(=O)C)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C20H18F3NO6S2/c1-12-4-6-15(7-5-12)31(26,27)24-13(2)10-16-17(11-14(3)25)19(9-8-18(16)24)30-32(28,29)20(21,22)23/h4-10H,11H2,1-3H3