[ethoxycarbonyl(2-ethylsulfanylethyl)amino] 5-[4-bromanyl-2-(trifluoromethyl)phenoxy]-2-methylsulfonyl-benzenecarboperoxoate

Systemtic Name: [ethoxycarbonyl(2-ethylsulfanylethyl)amino] 5-[4-bromanyl-2-(trifluoromethyl)phenoxy]-2-methylsulfonyl-benzenecarboperoxoate Openeye Name: [ethoxycarbonyl(2-ethylsulfanylethyl)amino] 5-[4-bromo-2-(trifluoromethyl)phenoxy]-2-methylsulfonyl-benzenecarboperoxoate CAS Name: 5-[4-bromo-2-(trifluoromethyl)phenoxy]-2-methylsulfonylbenzenecarboperoxoic acid [ethoxycarbonyl-[2-(ethylthio)ethyl]amino] ester IUPAC Name: [ethoxycarbonyl(2-ethylsulfanylethyl)amino] 5-[4-bromo-2-(trifluoromethyl)phenoxy]-2-methylsulfonylbenzenecarboperoxoate Traditional Name: 5-[4-bromo-2-(trifluoromethyl)phenoxy]-2-mesyl-benzenecarboperoxoic acid [carbethoxy-[2-(ethylthio)ethyl]amino] ester Formula: C22H23BrF3NO8S2 MolecularWeight: 630.44913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CCSCC)OOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Br)C(F)(F)F)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N(CCSCC)OOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Br)C(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C22H23BrF3NO8S2/c1-4-32-21(29)27(10-11-36-5-2)35-34-20(28)16-13-15(7-9-19(16)37(3,30)31)33-18-8-6-14(23)12-17(18)22(24,25)26/h6-9,12-13H,4-5,10-11H2,1-3H3