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

Systemtic Name: sodium 3-[2-(2-sulfonatosulfanylethanoylamino)propyl]-1H-indole Openeye Name: sodium 3-[2-[(2-sulfonatosulfanylacetyl)amino]propyl]-1H-indole CAS Name: sodium 3-[2-[[1-oxo-2-(sulfonatothio)ethyl]amino]propyl]-1H-indole IUPAC Name: sodium 3-[2-[(2-sulfonatosulfanylacetyl)amino]propyl]-1H-indole Traditional Name: sodium 3-[2-[[2-(sulfonatothio)acetyl]amino]propyl]-1H-indole Formula: C13H15N2NaO4S2 MolecularWeight: 350.38897

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)NC(=O)CSS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)NC(=O)CSS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H16N2O4S2.Na/c1-9(15-13(16)8-20-21(17,18)19)6-10-7-14-12-5-3-2-4-11(10)12;/h2-5,7,9,14H,6,8H2,1H3,(H,15,16)(H,17,18,19);/q;+1/p-1