N-[bis(azanyl)methylidene]-2-ethyl-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]sulfonylbenzamide Traditional Name: N-(diaminomethylene)-2-ethyl-5-mesyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-benzamide Formula: C18H18F3N3O5S2 MolecularWeight: 477.47783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H18F3N3O5S2/c1-3-10-8-15(14(30(2,26)27)9-11(10)16(25)24-17(22)23)31(28,29)13-7-5-4-6-12(13)18(19,20)21/h4-9H,3H2,1-2H3,(H4,22,23,24,25)