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

Systemtic Name: [3-methyl-1-(4-methylphenyl)sulfonyl-4-(2-oxidanylideneethyl)indol-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [3-methyl-4-(2-oxoethyl)-1-(p-tolylsulfonyl)indol-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3-methyl-1-(4-methylphenyl)sulfonyl-4-(2-oxoethyl)-5-indolyl] ester IUPAC Name: [3-methyl-1-(4-methylphenyl)sulfonyl-4-(2-oxoethyl)indol-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(2-ketoethyl)-3-methyl-1-tosyl-indol-5-yl] ester Formula: C19H16F3NO6S2 MolecularWeight: 475.45865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3CC=O)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3CC=O)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C19H16F3NO6S2/c1-12-3-5-14(6-4-12)30(25,26)23-11-13(2)18-15(9-10-24)17(8-7-16(18)23)29-31(27,28)19(20,21)22/h3-8,10-11H,9H2,1-2H3