2-[4-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-butan-2-yl]ethanamide

Systemtic Name: 2-[4-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-butan-2-yl]ethanamide Openeye Name: 2-[4-(2-bromo-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2S)-butan-2-yl]acetamide IUPAC Name: 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-[4-(2-bromo-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C18H29BrN3O5S+ MolecularWeight: 479.40896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28BrN3O5S/c1-5-13(2)20-18(23)12-21-6-8-22(9-7-21)28(24,25)17-11-16(27-4)15(26-3)10-14(17)19/h10-11,13H,5-9,12H2,1-4H3,(H,20,23)/p+1/t13-/m0/s1