N,N-dimethyl-2-(4-nitro-1,3-dihydro-2-benzofuran-1-yl)-4H-imidazole-4-sulfonamide

Systemtic Name: N,N-dimethyl-2-(4-nitro-1,3-dihydro-2-benzofuran-1-yl)-4H-imidazole-4-sulfonamide Openeye Name: N,N-dimethyl-2-(4-nitro-1,3-dihydroisobenzofuran-1-yl)-4H-imidazole-4-sulfonamide CAS Name: N,N-dimethyl-2-(4-nitro-1,3-dihydroisobenzofuran-1-yl)-4H-imidazole-4-sulfonamide IUPAC Name: N,N-dimethyl-2-(4-nitro-1,3-dihydro-2-benzofuran-1-yl)-4H-imidazole-4-sulfonamide Traditional Name: N,N-dimethyl-2-(4-nitrophthalan-1-yl)-4H-imidazole-4-sulfonamide Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1C=NC(=N1)C2C3=C(CO2)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1C=NC(=N1)C2C3=C(CO2)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5S/c1-16(2)23(20,21)11-6-14-13(15-11)12-8-4-3-5-10(17(18)19)9(8)7-22-12/h3-6,11-12H,7H2,1-2H3