(3-nitrophenyl)sulfonyl-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)azanide

Systemtic Name: (3-nitrophenyl)sulfonyl-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)azanide Openeye Name: (3-nitrophenyl)sulfonyl-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)azanide CAS Name: (3-nitrophenyl)sulfonyl-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)azanide IUPAC Name: (3-nitrophenyl)sulfonyl-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)azanide Traditional Name: (3-nitrophenyl)sulfonyl-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)azanide Formula: C13H13N3O4S2 MolecularWeight: 339.39002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S2/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/h3,5-6,8-9H,1-2,4,7H2