N-(4-bromophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-bromophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-bromophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-bromophenyl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-bromophenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-bromophenyl)-2-(4-mesylpiperazin-1-ium-1-yl)acetamide Formula: C13H19BrN3O3S+ MolecularWeight: 377.27726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H18BrN3O3S/c1-21(19,20)17-8-6-16(7-9-17)10-13(18)15-12-4-2-11(14)3-5-12/h2-5H,6-10H2,1H3,(H,15,18)/p+1