sodium 5-methoxy-3-[2-(2-sulfonatosulfanylethanoylamino)ethyl]-1H-indole

Systemtic Name: sodium 5-methoxy-3-[2-(2-sulfonatosulfanylethanoylamino)ethyl]-1H-indole Openeye Name: sodium 5-methoxy-3-[2-[(2-sulfonatosulfanylacetyl)amino]ethyl]-1H-indole CAS Name: sodium 5-methoxy-3-[2-[[1-oxo-2-(sulfonatothio)ethyl]amino]ethyl]-1H-indole IUPAC Name: sodium 5-methoxy-3-[2-[(2-sulfonatosulfanylacetyl)amino]ethyl]-1H-indole Traditional Name: sodium 5-methoxy-3-[2-[[2-(sulfonatothio)acetyl]amino]ethyl]-1H-indole Formula: C13H15N2NaO5S2 MolecularWeight: 366.38837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNC(=O)CSS(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC(=O)CSS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H16N2O5S2.Na/c1-20-10-2-3-12-11(6-10)9(7-15-12)4-5-14-13(16)8-21-22(17,18)19;/h2-3,6-7,15H,4-5,8H2,1H3,(H,14,16)(H,17,18,19);/q;+1/p-1