1-[7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-5-bromanyl-2,3-dihydroindol-1-yl]ethanone

Systemtic Name: 1-[7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-5-bromanyl-2,3-dihydroindol-1-yl]ethanone Openeye Name: 1-[7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-5-bromo-indolin-1-yl]ethanone CAS Name: 1-[7-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-5-bromo-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 1-[7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-5-bromo-2,3-dihydroindol-1-yl]ethanone Traditional Name: 1-[5-bromo-7-(4-piperonylpiperazin-4-ium-1-yl)sulfonyl-indolin-1-yl]ethanone Formula: C22H25BrN3O5S+ MolecularWeight: 523.42

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)Br

Isomeric SMILES

CC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)Br

InChI

InChI=1S/C22H24BrN3O5S/c1-15(27)26-5-4-17-11-18(23)12-21(22(17)26)32(28,29)25-8-6-24(7-9-25)13-16-2-3-19-20(10-16)31-14-30-19/h2-3,10-12H,4-9,13-14H2,1H3/p+1