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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-nitro-benzenesulfonamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-nitro-benzenesulfonamide Formula: C13H8BrN3O4S2 MolecularWeight: 414.25432

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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)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H8BrN3O4S2/c14-8-4-5-11-12(6-8)22-13(15-11)16-23(20,21)10-3-1-2-9(7-10)17(18)19/h1-7H,(H,15,16)