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

Systemtic Name: sodium 3-[2-(3-sulfonatosulfanylpropanoylamino)propyl]-1H-indole Openeye Name: sodium 3-[2-(3-sulfonatosulfanylpropanoylamino)propyl]-1H-indole CAS Name: sodium 3-[2-[[1-oxo-3-(sulfonatothio)propyl]amino]propyl]-1H-indole IUPAC Name: sodium 3-[2-(3-sulfonatosulfanylpropanoylamino)propyl]-1H-indole Traditional Name: sodium 3-[2-[3-(sulfonatothio)propanoylamino]propyl]-1H-indole Formula: C14H17N2NaO4S2 MolecularWeight: 364.41555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S2.Na/c1-10(16-14(17)6-7-21-22(18,19)20)8-11-9-15-13-5-3-2-4-12(11)13;/h2-5,9-10,15H,6-8H2,1H3,(H,16,17)(H,18,19,20);/q;+1/p-1