N,N-dimethyl-2-[(2-nitro-3-oxidanyl-phenyl)methyl]imidazole-1-sulfonamide

Systemtic Name: N,N-dimethyl-2-[(2-nitro-3-oxidanyl-phenyl)methyl]imidazole-1-sulfonamide Openeye Name: 2-[(3-hydroxy-2-nitro-phenyl)methyl]-N,N-dimethyl-imidazole-1-sulfonamide CAS Name: 2-[(3-hydroxy-2-nitrophenyl)methyl]-N,N-dimethyl-1-imidazolesulfonamide IUPAC Name: 2-[(3-hydroxy-2-nitrophenyl)methyl]-N,N-dimethylimidazole-1-sulfonamide Traditional Name: 2-(3-hydroxy-2-nitro-benzyl)-N,N-dimethyl-imidazole-1-sulfonamide Formula: C12H14N4O5S MolecularWeight: 326.32836

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1C=CN=C1CC2=C(C(=CC=C2)O)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)N1C=CN=C1CC2=C(C(=CC=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O5S/c1-14(2)22(20,21)15-7-6-13-11(15)8-9-4-3-5-10(17)12(9)16(18)19/h3-7,17H,8H2,1-2H3