ethyl 2-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]propanoate CAS Name: 2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]propionic acid ethyl ester Formula: C19H19BrF3NO5S2 MolecularWeight: 542.38707

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

InChI

InChI=1S/C19H19BrF3NO5S2/c1-2-28-18(25)15(12-30-11-13-6-4-3-5-7-13)24-31(26,27)17-9-8-14(20)10-16(17)29-19(21,22)23/h3-10,15,24H,2,11-12H2,1H3