5-[(5-nitro-2-oxidanyl-phenyl)methylsulfonylamino]-1,3,4-thiadiazole-2-sulfonamide

Systemtic Name: 5-[(5-nitro-2-oxidanyl-phenyl)methylsulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methylsulfonylamino]-1,3,4-thiadiazole-2-sulfonamide CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methylsulfonylamino]-1,3,4-thiadiazole-2-sulfonamide IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methylsulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Traditional Name: 5-[(2-hydroxy-5-nitro-benzyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide Formula: C9H9N5O7S3 MolecularWeight: 395.39206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])CS(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])CS(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N)O

InChI

InChI=1S/C9H9N5O7S3/c10-24(20,21)9-12-11-8(22-9)13-23(18,19)4-5-3-6(14(16)17)1-2-7(5)15/h1-3,15H,4H2,(H,11,13)(H2,10,20,21)