methyl 2-(naphthalen-2-ylsulfonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate

Systemtic Name: methyl 2-(naphthalen-2-ylsulfonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: methyl 2-(2-naphthylsulfonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: 2-(2-naphthalenylsulfonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-(naphthalen-2-ylsulfonylamino)-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: 2-(2-naphthylsulfonylamino)-3-(4-triflyloxyphenyl)propionic acid methyl ester Formula: C21H18F3NO7S2 MolecularWeight: 517.49533

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18F3NO7S2/c1-31-20(26)19(12-14-6-9-17(10-7-14)32-34(29,30)21(22,23)24)25-33(27,28)18-11-8-15-4-2-3-5-16(15)13-18/h2-11,13,19,25H,12H2,1H3