N-[2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanamide

Systemtic Name: N-[2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethyl]ethanamide Openeye Name: N-[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]ethyl]acetamide CAS Name: N-[2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]ethyl]acetamide IUPAC Name: N-[2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethyl]acetamide Traditional Name: N-[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]ethyl]acetamide Formula: C12H19BrN3O3S2+ MolecularWeight: 397.33156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC(=O)NCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C12H18BrN3O3S2/c1-10(17)14-4-5-15-6-8-16(9-7-15)21(18,19)12-3-2-11(13)20-12/h2-3H,4-9H2,1H3,(H,14,17)/p+1