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

Systemtic Name: [1-(4-methylphenyl)sulfonyl-4-(2-oxidanylideneethyl)indol-5-yl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(2-oxoethyl)-1-(p-tolylsulfonyl)indol-5-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [1-(4-methylphenyl)sulfonyl-4-(2-oxoethyl)-5-indolyl] ester IUPAC Name: [1-(4-methylphenyl)sulfonyl-4-(2-oxoethyl)indol-5-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(2-ketoethyl)-1-tosyl-indol-5-yl] ester Formula: C18H14F3NO6S2 MolecularWeight: 461.43207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3NO6S2/c1-12-2-4-13(5-3-12)29(24,25)22-10-8-14-15(9-11-23)17(7-6-16(14)22)28-30(26,27)18(19,20)21/h2-8,10-11H,9H2,1H3