N-[bis(azanyl)methylidene]-2-bromanyl-5-methylsulfonyl-4-pentyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-bromanyl-5-methylsulfonyl-4-pentyl-benzamide Openeye Name: 2-bromo-N-(diaminomethylene)-5-methylsulfonyl-4-pentyl-benzamide CAS Name: 2-bromo-N-(diaminomethylidene)-5-methylsulfonyl-4-pentylbenzamide IUPAC Name: 2-bromo-N-(diaminomethylidene)-5-methylsulfonyl-4-pentylbenzamide Traditional Name: 4-amyl-2-bromo-N-(diaminomethylene)-5-mesyl-benzamide Formula: C14H20BrN3O3S MolecularWeight: 390.2959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C(=C1)Br)C(=O)N=C(N)N)S(=O)(=O)C

Isomeric SMILES

CCCCCC1=C(C=C(C(=C1)Br)C(=O)N=C(N)N)S(=O)(=O)C

InChI

InChI=1S/C14H20BrN3O3S/c1-3-4-5-6-9-7-11(15)10(13(19)18-14(16)17)8-12(9)22(2,20)21/h7-8H,3-6H2,1-2H3,(H4,16,17,18,19)