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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S2.Na/c16-13(6-8-20-21(17,18)19)14-7-5-10-9-15-12-4-2-1-3-11(10)12;/h1-4,9,15H,5-8H2,(H,14,16)(H,17,18,19);/q;+1/p-1