3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol

Systemtic Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol Openeye Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol CAS Name: 3-[[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-dibenzofuranol IUPAC Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol Traditional Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol Formula: C23H22N3O6S+ MolecularWeight: 468.50228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C3C4=CC=CC=C4OC3=C2)O)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C3C4=CC=CC=C4OC3=C2)O)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O6S/c27-20-14-18-17-5-1-3-7-21(17)32-22(18)13-16(20)15-24-9-11-25(12-10-24)33(30,31)23-8-4-2-6-19(23)26(28)29/h1-8,13-14,27H,9-12,15H2/p+1