[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate CAS Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate Traditional Name: 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propionic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C18H15BrF3NO5S MolecularWeight: 494.27961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrF3NO5S/c19-14-6-4-12(5-7-14)16(24)11-28-17(25)8-9-23-29(26,27)15-3-1-2-13(10-15)18(20,21)22/h1-7,10,23H,8-9,11H2