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

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethynyl-5-methylsulfonyl-4-pentyl-benzamide Openeye Name: N-(diaminomethylene)-2-ethynyl-5-methylsulfonyl-4-pentyl-benzamide CAS Name: N-(diaminomethylidene)-2-ethynyl-5-methylsulfonyl-4-pentylbenzamide IUPAC Name: N-(diaminomethylidene)-2-ethynyl-5-methylsulfonyl-4-pentylbenzamide Traditional Name: 4-amyl-N-(diaminomethylene)-2-ethynyl-5-mesyl-benzamide Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-4-6-7-8-12-9-11(5-2)13(15(20)19-16(17)18)10-14(12)23(3,21)22/h2,9-10H,4,6-8H2,1,3H3,(H4,17,18,19,20)