N-(4,5-dimethyl-1,2-thiazol-2-ium-2-yl)-3-nitro-benzenesulfonamide perchlorate

Systemtic Name: N-(4,5-dimethyl-1,2-thiazol-2-ium-2-yl)-3-nitro-benzenesulfonamide perchlorate Openeye Name: N-(4,5-dimethylisothiazol-2-ium-2-yl)-3-nitro-benzenesulfonamide perchlorate CAS Name: N-(4,5-dimethyl-2-isothiazol-2-iumyl)-3-nitrobenzenesulfonamide perchlorate IUPAC Name: N-(4,5-dimethyl-1,2-thiazol-2-ium-2-yl)-3-nitrobenzenesulfonamide perchlorate Traditional Name: N-(4,5-dimethylisothiazol-2-ium-2-yl)-3-nitro-benzenesulfonamide perchlorate Formula: C11H12ClN3O8S2 MolecularWeight: 413.81128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N3O4S2.ClHO4/c1-8-7-13(19-9(8)2)12-20(17,18)11-5-3-4-10(6-11)14(15)16;2-1(3,4)5/h3-7,12H,1-2H3;(H,2,3,4,5)/q+1;/p-1