ethyl 2-[4-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetate CAS Name: 2-[4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetate Traditional Name: 2-[4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpiperazino]acetic acid ethyl ester Formula: C15H18BrF3N2O5S MolecularWeight: 475.27803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

InChI

InChI=1S/C15H18BrF3N2O5S/c1-2-25-14(22)10-20-5-7-21(8-6-20)27(23,24)13-4-3-11(16)9-12(13)26-15(17,18)19/h3-4,9H,2,5-8,10H2,1H3