(5-bromanylthiophen-2-yl)sulfonyl-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]azanide

Systemtic Name: (5-bromanylthiophen-2-yl)sulfonyl-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoxalin-2-yl]azanide Openeye Name: [3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-[(5-bromo-2-thienyl)sulfonyl]azanide CAS Name: (5-bromo-2-thiophenyl)sulfonyl-[3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-quinoxalinyl]azanide IUPAC Name: [3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-(5-bromothiophen-2-yl)sulfonylazanide Traditional Name: [3-(4-benzylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-[(5-bromo-2-thienyl)sulfonyl]azanide Formula: C23H22BrN5O2S2 MolecularWeight: 544.48708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=C(S5)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=C(S5)Br

InChI

InChI=1S/C23H21BrN5O2S2/c24-20-10-11-21(32-20)33(30,31)27-22-23(26-19-9-5-4-8-18(19)25-22)29-14-12-28(13-15-29)16-17-6-2-1-3-7-17/h1-11H,12-16H2/q-1/p+1