N,N-dimethyl-2-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-2-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: N,N-dimethyl-2-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Formula: C21H21N5O6S MolecularWeight: 471.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6S/c1-4-9-24-18-8-6-14(33(31,32)23(2)3)11-17(18)22-19(24)12-25-20(27)15-7-5-13(26(29)30)10-16(15)21(25)28/h5-8,10-11H,4,9,12H2,1-3H3