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

Systemtic Name: phenylsulfonyl(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)azanide Openeye Name: benzenesulfonyl(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)azanide CAS Name: benzenesulfonyl(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)azanide IUPAC Name: benzenesulfonyl(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)azanide Traditional Name: besyl(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)azanide Formula: C13H14N2O2S2 MolecularWeight: 294.39246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S2/c16-19(17,12-7-2-1-3-8-12)14-15-10-11-6-4-5-9-13(11)18-15/h1-3,7-8,10H,4-6,9H2