sodium 2-(2-sulfonatosulfanylethanoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

Systemtic Name: sodium 2-(2-sulfonatosulfanylethanoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole Openeye Name: sodium 2-(2-sulfonatosulfanylacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole CAS Name: sodium 2-[1-oxo-2-(sulfonatothio)ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole IUPAC Name: sodium 2-(2-sulfonatosulfanylacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole Traditional Name: sodium 2-[2-(sulfonatothio)acetyl]-1,3,4,9-tetrahydro-$b-carboline Formula: C13H13N2NaO4S2 MolecularWeight: 348.37309

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C3=CC=CC=C3N2)C(=O)CSS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CN(CC2=C1C3=CC=CC=C3N2)C(=O)CSS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H14N2O4S2.Na/c16-13(8-20-21(17,18)19)15-6-5-10-9-3-1-2-4-11(9)14-12(10)7-15;/h1-4,14H,5-8H2,(H,17,18,19);/q;+1/p-1