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

Systemtic Name: 2-[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C12H16BrClN3O3S+ MolecularWeight: 397.69574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C12H15BrClN3O3S/c13-9-1-2-11(10(14)7-9)21(19,20)17-5-3-16(4-6-17)8-12(15)18/h1-2,7H,3-6,8H2,(H2,15,18)/p+1