4-bromanyl-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide

Systemtic Name: 4-bromanyl-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide Openeye Name: 4-bromo-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide CAS Name: 4-bromo-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide IUPAC Name: 4-bromo-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide Traditional Name: 4-bromo-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide Formula: C13H14BrN2O2S2+ MolecularWeight: 374.29646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=[N+](S2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC2=C(C1)C=[N+](S2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C13H14BrN2O2S2/c14-11-5-7-12(8-6-11)20(17,18)15-16-9-10-3-1-2-4-13(10)19-16/h5-9,15H,1-4H2/q+1