2-[3-methyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethylsulfonyloxy)indol-4-yl]ethyl ethanoate

Systemtic Name: 2-[3-methyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethylsulfonyloxy)indol-4-yl]ethyl ethanoate Openeye Name: 2-[3-methyl-1-(p-tolylsulfonyl)-5-(trifluoromethylsulfonyloxy)indol-4-yl]ethyl acetate CAS Name: acetic acid 2-[3-methyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethylsulfonyloxy)-4-indolyl]ethyl ester IUPAC Name: 2-[3-methyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethylsulfonyloxy)indol-4-yl]ethyl acetate Traditional Name: acetic acid 2-(3-methyl-1-tosyl-5-triflyloxy-indol-4-yl)ethyl ester Formula: C21H20F3NO7S2 MolecularWeight: 519.51121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3CCOC(=O)C)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3CCOC(=O)C)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C21H20F3NO7S2/c1-13-4-6-16(7-5-13)33(27,28)25-12-14(2)20-17(10-11-31-15(3)26)19(9-8-18(20)25)32-34(29,30)21(22,23)24/h4-9,12H,10-11H2,1-3H3