N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitro-benzenesulfonamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitro-benzenesulfonamide Formula: C13H8BrN3O4S2 MolecularWeight: 414.25432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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