N-(4,5-dimethyl-1,2-thiazol-2-ium-2-yl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(4,5-dimethyl-1,2-thiazol-2-ium-2-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(4,5-dimethylisothiazol-2-ium-2-yl)-4-nitro-benzenesulfonamide CAS Name: N-(4,5-dimethyl-2-isothiazol-2-iumyl)-4-nitrobenzenesulfonamide IUPAC Name: N-(4,5-dimethyl-1,2-thiazol-2-ium-2-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(4,5-dimethylisothiazol-2-ium-2-yl)-4-nitro-benzenesulfonamide Formula: C11H12N3O4S2+ MolecularWeight: 314.36068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(S[N+](=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(S[N+](=C1)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C11H12N3O4S2/c1-8-7-13(19-9(8)2)12-20(17,18)11-5-3-10(4-6-11)14(15)16/h3-7,12H,1-2H3/q+1