2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-isobutyl-acetamide CAS Name: 2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-isobutyl-acetamide Formula: C16H25BrN3O3S+ MolecularWeight: 419.357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24BrN3O3S/c1-13(2)11-18-16(21)12-19-6-8-20(9-7-19)24(22,23)15-5-3-4-14(17)10-15/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,18,21)/p+1