N-[bis(azanyl)methylidene]-2-cyano-4-hexyl-3-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-cyano-4-hexyl-3-methylsulfonyl-benzamide Openeye Name: 2-cyano-N-(diaminomethylene)-4-hexyl-3-methylsulfonyl-benzamide CAS Name: 2-cyano-N-(diaminomethylidene)-4-hexyl-3-methylsulfonylbenzamide IUPAC Name: 2-cyano-N-(diaminomethylidene)-4-hexyl-3-methylsulfonylbenzamide Traditional Name: 2-cyano-N-(diaminomethylene)-4-hexyl-3-mesyl-benzamide Formula: C16H22N4O3S MolecularWeight: 350.43588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C=C1)C(=O)N=C(N)N)C#N)S(=O)(=O)C

Isomeric SMILES

CCCCCCC1=C(C(=C(C=C1)C(=O)N=C(N)N)C#N)S(=O)(=O)C

InChI

InChI=1S/C16H22N4O3S/c1-3-4-5-6-7-11-8-9-12(15(21)20-16(18)19)13(10-17)14(11)24(2,22)23/h8-9H,3-7H2,1-2H3,(H4,18,19,20,21)