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

Systemtic Name: 2-[1-(4-methylphenyl)sulfonyl-5-(trifluoromethylsulfonyloxy)indol-4-yl]ethyl ethanoate Openeye Name: 2-[1-(p-tolylsulfonyl)-5-(trifluoromethylsulfonyloxy)indol-4-yl]ethyl acetate CAS Name: acetic acid 2-[1-(4-methylphenyl)sulfonyl-5-(trifluoromethylsulfonyloxy)-4-indolyl]ethyl ester IUPAC Name: 2-[1-(4-methylphenyl)sulfonyl-5-(trifluoromethylsulfonyloxy)indol-4-yl]ethyl acetate Traditional Name: acetic acid 2-(1-tosyl-5-triflyloxy-indol-4-yl)ethyl ester Formula: C20H18F3NO7S2 MolecularWeight: 505.48463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3CCOC(=O)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3CCOC(=O)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H18F3NO7S2/c1-13-3-5-15(6-4-13)32(26,27)24-11-9-16-17(10-12-30-14(2)25)19(8-7-18(16)24)31-33(28,29)20(21,22)23/h3-9,11H,10,12H2,1-2H3