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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S2/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/h5-9H,1-4H2