sodium 1-(furan-3-ylcarbonyl)-4-(2-sulfonatosulfanylethanoyl)piperazine

Systemtic Name: sodium 1-(furan-3-ylcarbonyl)-4-(2-sulfonatosulfanylethanoyl)piperazine Openeye Name: sodium 1-(furan-3-carbonyl)-4-(2-sulfonatosulfanylacetyl)piperazine CAS Name: sodium 1-[3-furanyl(oxo)methyl]-4-[1-oxo-2-(sulfonatothio)ethyl]piperazine IUPAC Name: sodium 1-(furan-3-carbonyl)-4-(2-sulfonatosulfanylacetyl)piperazine Traditional Name: sodium 1-(3-furoyl)-4-[2-(sulfonatothio)acetyl]piperazine Formula: C11H13N2NaO6S2 MolecularWeight: 356.35049

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSS(=O)(=O)[O-])C(=O)C2=COC=C2.[Na+]

Isomeric SMILES

C1CN(CCN1C(=O)CSS(=O)(=O)[O-])C(=O)C2=COC=C2.[Na+]

InChI

InChI=1S/C11H14N2O6S2.Na/c14-10(8-20-21(16,17)18)12-2-4-13(5-3-12)11(15)9-1-6-19-7-9;/h1,6-7H,2-5,8H2,(H,16,17,18);/q;+1/p-1