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

Systemtic Name: 3-nitro-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide perchlorate Openeye Name: 3-nitro-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide perchlorate CAS Name: 3-nitro-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide perchlorate IUPAC Name: 3-nitro-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide perchlorate Traditional Name: 3-nitro-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide perchlorate Formula: C13H14ClN3O8S2 MolecularWeight: 439.84856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N3O4S2.ClHO4/c17-16(18)11-5-3-6-12(8-11)22(19,20)14-15-9-10-4-1-2-7-13(10)21-15;2-1(3,4)5/h3,5-6,8-9,14H,1-2,4,7H2;(H,2,3,4,5)/q+1;/p-1