3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzenesulfonamide

Systemtic Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzenesulfonamide Openeye Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzenesulfonamide CAS Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzenesulfonamide IUPAC Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzenesulfonamide Traditional Name: 3-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzenesulfonamide Formula: C13H8N4O6S2 MolecularWeight: 380.35582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O6S2/c18-16(19)8-2-1-3-10(6-8)25(22,23)15-13-14-11-5-4-9(17(20)21)7-12(11)24-13/h1-7H,(H,14,15)