N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C18H27N4O3S+ MolecularWeight: 379.49698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H26N4O3S/c1-15(2)18(3,14-19)20-17(23)13-21-9-11-22(12-10-21)26(24,25)16-7-5-4-6-8-16/h4-8,15H,9-13H2,1-3H3,(H,20,23)/p+1/t18-/m0/s1