2-[[3-(cyanomethylamino)-3-oxidanylidene-propyl]sulfonylmethyl]benzamide

Systemtic Name: 2-[[3-(cyanomethylamino)-3-oxidanylidene-propyl]sulfonylmethyl]benzamide Openeye Name: 2-[[3-(cyanomethylamino)-3-oxo-propyl]sulfonylmethyl]benzamide CAS Name: 2-[[3-(cyanomethylamino)-3-oxopropyl]sulfonylmethyl]benzamide IUPAC Name: 2-[[3-(cyanomethylamino)-3-oxopropyl]sulfonylmethyl]benzamide Traditional Name: 2-[[3-(cyanomethylamino)-3-keto-propyl]sulfonylmethyl]benzamide Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)CCC(=O)NCC#N)C(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)CCC(=O)NCC#N)C(=O)N

InChI

InChI=1S/C13H15N3O4S/c14-6-7-16-12(17)5-8-21(19,20)9-10-3-1-2-4-11(10)13(15)18/h1-4H,5,7-9H2,(H2,15,18)(H,16,17)