N-(1,3-benzodioxol-5-yl)-2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetamide Formula: C17H19BrN3O5S2+ MolecularWeight: 489.38386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C17H18BrN3O5S2/c18-15-3-4-17(27-15)28(23,24)21-7-5-20(6-8-21)10-16(22)19-12-1-2-13-14(9-12)26-11-25-13/h1-4,9H,5-8,10-11H2,(H,19,22)/p+1