2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-1-piperazinyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(2,6-dimethylmorpholino)sulfonylpiperazino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H25N5O7S MolecularWeight: 467.4961

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O7S/c1-13-10-22(11-14(2)31-13)32(29,30)21-8-6-20(7-9-21)12-23-18(25)15-4-3-5-16(24(27)28)17(15)19(23)26/h3-5,13-14H,6-12H2,1-2H3