2-methyl-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-methyl-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-methyl-5-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-methyl-5-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-methyl-5-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-methyl-5-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C20H18N4O7S MolecularWeight: 458.44452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O7S/c1-21-19(26)16-6-5-13(11-17(16)20(21)27)18(25)22-7-9-23(10-8-22)32(30,31)15-4-2-3-14(12-15)24(28)29/h2-6,11-12H,7-10H2,1H3