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

Systemtic Name: 4-nitro-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide Openeye Name: 4-nitro-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide CAS Name: 4-nitro-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide IUPAC Name: 4-nitro-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide Traditional Name: 4-nitro-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide Formula: C13H14N3O4S2+ MolecularWeight: 340.39796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N3O4S2/c17-16(18)11-5-7-12(8-6-11)22(19,20)14-15-9-10-3-1-2-4-13(10)21-15/h5-9,14H,1-4H2/q+1