2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C22H21N5O7S MolecularWeight: 499.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O7S/c1-2-25-19-6-4-15(35(32,33)24-7-9-34-10-8-24)12-18(19)23-20(25)13-26-21(28)16-5-3-14(27(30)31)11-17(16)22(26)29/h3-6,11-12H,2,7-10,13H2,1H3