2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)ethanamide Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(methylcarbamoyl)acetamide IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide Formula: C16H25N4O4S+ MolecularWeight: 369.4591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC

InChI

InChI=1S/C16H24N4O4S/c1-12-4-5-13(2)14(10-12)25(23,24)20-8-6-19(7-9-20)11-15(21)18-16(22)17-3/h4-5,10H,6-9,11H2,1-3H3,(H2,17,18,21,22)/p+1