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

Systemtic Name: 2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]-4-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(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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