N-(1-cyanocyclopentyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclopentyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(1-cyanocyclopentyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(1-cyanocyclopentyl)acetamide Formula: C18H25N4O3S+ MolecularWeight: 377.4811

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O3S/c19-15-18(8-4-5-9-18)20-17(23)14-21-10-12-22(13-11-21)26(24,25)16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-14H2,(H,20,23)/p+1