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sodium 3-[2-(4-sulfonatosulfanylbutanoylamino)ethyl]-1H-indole

sodium 3-[2-(4-sulfonatosulfanylbutanoylamino)ethyl]-1H-indole

Systemtic Name:sodium 3-[2-(4-sulfonatosulfanylbutanoylamino)ethyl]-1H-indole
Openeye Name:sodium 3-[2-(4-sulfonatosulfanylbutanoylamino)ethyl]-1H-indole
CAS Name:sodium 3-[2-[[1-oxo-4-(sulfonatothio)butyl]amino]ethyl]-1H-indole
IUPAC Name:sodium 3-[2-(4-sulfonatosulfanylbutanoylamino)ethyl]-1H-indole
Traditional Name:sodium 3-[2-[4-(sulfonatothio)butanoylamino]ethyl]-1H-indole
Formula: C14H17N2NaO4S2
MolecularWeight: 364.41555
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H18N2O4S2.Na/c17-14(6-3-9-21-22(18,19)20)15-8-7-11-10-16-13-5-2-1-4-12(11)13;/h1-2,4-5,10,16H,3,6-9H2,(H,15,17)(H,18,19,20);/q;+1/p-1


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