N-[bis(azanyl)methylidene]-2-ethyl-4-pentan-3-ylsulfonyl-5-(trifluoromethyl)benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-4-pentan-3-ylsulfonyl-5-(trifluoromethyl)benzamide Openeye Name: N-(diaminomethylene)-2-ethyl-4-(1-ethylpropylsulfonyl)-5-(trifluoromethyl)benzamide CAS Name: N-(diaminomethylidene)-2-ethyl-4-pentan-3-ylsulfonyl-5-(trifluoromethyl)benzamide IUPAC Name: N-(diaminomethylidene)-2-ethyl-4-pentan-3-ylsulfonyl-5-(trifluoromethyl)benzamide Traditional Name: N-(diaminomethylene)-2-ethyl-4-(1-ethylpropylsulfonyl)-5-(trifluoromethyl)benzamide Formula: C16H22F3N3O3S MolecularWeight: 393.42439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22F3N3O3S/c1-4-9-7-13(26(24,25)10(5-2)6-3)12(16(17,18)19)8-11(9)14(23)22-15(20)21/h7-8,10H,4-6H2,1-3H3,(H4,20,21,22,23)