2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-methyl-ethanamide

Systemtic Name: 2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C16H21BrClN4O3S+ MolecularWeight: 464.78494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CN(CCC#N)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C16H20BrClN4O3S/c1-20(6-2-5-19)16(23)12-21-7-9-22(10-8-21)26(24,25)15-4-3-13(17)11-14(15)18/h3-4,11H,2,6-10,12H2,1H3/p+1