4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-sulfinate

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-sulfinate Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-sulfinate CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinesulfinate IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-sulfinate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-sulfinate Formula: C13H15N2O5S- MolecularWeight: 311.3336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)S(=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)S(=O)[O-]

InChI

InChI=1S/C13H16N2O5S/c16-13(14-5-7-15(8-6-14)21(17)18)12-9-19-10-3-1-2-4-11(10)20-12/h1-4,12H,5-9H2,(H,17,18)/p-1