sodium 3-[2-(2-sulfonatosulfanylethanoylamino)ethyl]-1-benzofuran

Systemtic Name: sodium 3-[2-(2-sulfonatosulfanylethanoylamino)ethyl]-1-benzofuran Openeye Name: sodium 3-[2-[(2-sulfonatosulfanylacetyl)amino]ethyl]benzofuran CAS Name: sodium 3-[2-[[1-oxo-2-(sulfonatothio)ethyl]amino]ethyl]benzofuran IUPAC Name: sodium 3-[2-[(2-sulfonatosulfanylacetyl)amino]ethyl]-1-benzofuran Traditional Name: sodium 3-[2-[[2-(sulfonatothio)acetyl]amino]ethyl]benzofuran Formula: C12H12NNaO5S2 MolecularWeight: 337.34715

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CO2)CCNC(=O)CSS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CO2)CCNC(=O)CSS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H13NO5S2.Na/c14-12(8-19-20(15,16)17)13-6-5-9-7-18-11-4-2-1-3-10(9)11;/h1-4,7H,5-6,8H2,(H,13,14)(H,15,16,17);/q;+1/p-1