sodium 3-[2-(2-sulfonatosulfanylethanoylamino)ethyl]-1H-indole

Systemtic Name: sodium 3-[2-(2-sulfonatosulfanylethanoylamino)ethyl]-1H-indole Openeye Name: sodium 3-[2-[(2-sulfonatosulfanylacetyl)amino]ethyl]-1H-indole CAS Name: sodium 3-[2-[[1-oxo-2-(sulfonatothio)ethyl]amino]ethyl]-1H-indole IUPAC Name: sodium 3-[2-[(2-sulfonatosulfanylacetyl)amino]ethyl]-1H-indole Traditional Name: sodium 3-[2-[[2-(sulfonatothio)acetyl]amino]ethyl]-1H-indole Formula: C12H13N2NaO4S2 MolecularWeight: 336.36239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CSS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CSS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H14N2O4S2.Na/c15-12(8-19-20(16,17)18)13-6-5-9-7-14-11-4-2-1-3-10(9)11;/h1-4,7,14H,5-6,8H2,(H,13,15)(H,16,17,18);/q;+1/p-1