N-[2-(5-oxidanylidenehexanoylsulfamoyl)phenyl]-4-(2-phenylethynyl)-3-(trifluoromethyl)benzamide

Systemtic Name: N-[2-(5-oxidanylidenehexanoylsulfamoyl)phenyl]-4-(2-phenylethynyl)-3-(trifluoromethyl)benzamide Openeye Name: N-[2-(5-oxohexanoylsulfamoyl)phenyl]-4-(2-phenylethynyl)-3-(trifluoromethyl)benzamide CAS Name: N-[2-(1,5-dioxohexylsulfamoyl)phenyl]-4-(2-phenylethynyl)-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-(5-oxohexanoylsulfamoyl)phenyl]-4-(2-phenylethynyl)-3-(trifluoromethyl)benzamide Traditional Name: N-[2-(5-ketohexanoylsulfamoyl)phenyl]-4-(2-phenylethynyl)-3-(trifluoromethyl)benzamide Formula: C28H23F3N2O5S MolecularWeight: 556.55283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCC(=O)NS(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)C#CC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC(=O)CCCC(=O)NS(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)C#CC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C28H23F3N2O5S/c1-19(34)8-7-13-26(35)33-39(37,38)25-12-6-5-11-24(25)32-27(36)22-17-16-21(23(18-22)28(29,30)31)15-14-20-9-3-2-4-10-20/h2-6,9-12,16-18H,7-8,13H2,1H3,(H,32,36)(H,33,35)