methyl 2-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-(2-methoxy-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: methyl 2-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-(2-methoxy-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: methyl 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-(2-methoxy-2-oxo-ethyl)amino]acetate CAS Name: 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-(2-methoxy-2-oxoethyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate Traditional Name: 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-(2-keto-2-methoxy-ethyl)amino]acetic acid methyl ester Formula: C13H13BrF3NO7S MolecularWeight: 464.20903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CC(=O)OC)S(=O)(=O)C1=C(C=C(C=C1)Br)OC(F)(F)F

Isomeric SMILES

COC(=O)CN(CC(=O)OC)S(=O)(=O)C1=C(C=C(C=C1)Br)OC(F)(F)F

InChI

InChI=1S/C13H13BrF3NO7S/c1-23-11(19)6-18(7-12(20)24-2)26(21,22)10-4-3-8(14)5-9(10)25-13(15,16)17/h3-5H,6-7H2,1-2H3