[(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 2,1,3-benzothiadiazole-4-sulfonate

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 2,1,3-benzothiadiazole-4-sulfonate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 2,1,3-benzothiadiazole-4-sulfonate CAS Name: 2,1,3-benzothiadiazole-4-sulfonic acid [(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] ester IUPAC Name: [(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] 2,1,3-benzothiadiazole-4-sulfonate Traditional Name: piazthiole-4-sulfonic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H14N2O4S2/c1-9-6-7-13(16-12(20)8-10(2)15(9)16)23-25(21,22)14-5-3-4-11-17(14)19-24-18-11/h3-7,10H,8H2,1-2H3/t10-/m0/s1