2-[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-butan-2-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C16H24BrN3O3S/c1-3-13(2)18-16(21)12-19-8-10-20(11-9-19)24(22,23)15-7-5-4-6-14(15)17/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)/p+1/t13-/m0/s1