3-nitro-N-(2-oxidanylidene-1,3-benzoxathiol-5-yl)benzenesulfonamide

Systemtic Name: 3-nitro-N-(2-oxidanylidene-1,3-benzoxathiol-5-yl)benzenesulfonamide Openeye Name: 3-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide CAS Name: 3-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide IUPAC Name: 3-nitro-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide Traditional Name: N-(2-keto-1,3-benzoxathiol-5-yl)-3-nitro-benzenesulfonamide Formula: C13H8N2O6S2 MolecularWeight: 352.34242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=O)S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)OC(=O)S3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O6S2/c16-13-21-11-5-4-8(6-12(11)22-13)14-23(19,20)10-3-1-2-9(7-10)15(17)18/h1-7,14H