ethyl 4-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-butyl-amino]benzoate

Systemtic Name: ethyl 4-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-butyl-amino]benzoate Openeye Name: ethyl 4-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-butyl-amino]benzoate CAS Name: 4-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-butylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-butylamino]benzoate Traditional Name: 4-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-butyl-amino]benzoic acid ethyl ester Formula: C20H21BrF3NO5S MolecularWeight: 524.34865

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)OCC)S(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

InChI

InChI=1S/C20H21BrF3NO5S/c1-3-5-12-25(16-9-6-14(7-10-16)19(26)29-4-2)31(27,28)18-11-8-15(21)13-17(18)30-20(22,23)24/h6-11,13H,3-5,12H2,1-2H3