N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-5-bromanyl-thiophene-2-sulfonamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-5-bromanyl-thiophene-2-sulfonamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-5-bromo-thiophene-2-sulfonamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-quinoxalinyl]-5-bromo-2-thiophenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]-5-bromothiophene-2-sulfonamide Traditional Name: 5-bromo-N-[3-(4-piperonylpiperazin-4-ium-1-yl)quinoxalin-2-yl]thiophene-2-sulfonamide Formula: C24H23BrN5O4S2+ MolecularWeight: 589.50452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N=C4NS(=O)(=O)C6=CC=C(S6)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N=C4NS(=O)(=O)C6=CC=C(S6)Br

InChI

InChI=1S/C24H22BrN5O4S2/c25-21-7-8-22(35-21)36(31,32)28-23-24(27-18-4-2-1-3-17(18)26-23)30-11-9-29(10-12-30)14-16-5-6-19-20(13-16)34-15-33-19/h1-8,13H,9-12,14-15H2,(H,26,28)/p+1