N-(2-cyanoethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C13H19N4O3S2+ MolecularWeight: 343.44496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC#N)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC#N)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C13H18N4O3S2/c14-4-2-5-15-12(18)11-16-6-8-17(9-7-16)22(19,20)13-3-1-10-21-13/h1,3,10H,2,5-9,11H2,(H,15,18)/p+1