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

Systemtic Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(4-methoxyphenyl)sulfonylpiperazino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H20N4O7S MolecularWeight: 460.4604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

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