2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C20H21N4O7S+ MolecularWeight: 461.46834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O7S/c1-31-18-7-6-14(12-17(18)24(27)28)32(29,30)22-10-8-21(9-11-22)13-23-19(25)15-4-2-3-5-16(15)20(23)26/h2-7,12H,8-11,13H2,1H3/p+1