2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone Openeye Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-1-indolin-1-yl-ethanone CAS Name: 2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-1-(2,3-dihydroindol-1-yl)ethanone IUPAC Name: 2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-1-indolin-1-yl-ethanone Formula: C18H21BrN3O3S2+ MolecularWeight: 471.41164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C18H20BrN3O3S2/c19-16-5-6-18(26-16)27(24,25)21-11-9-20(10-12-21)13-17(23)22-8-7-14-3-1-2-4-15(14)22/h1-6H,7-13H2/p+1