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

Systemtic Name: sodium 5-methoxy-3-[2-(3-sulfonatosulfanylpropanoylamino)ethyl]-1H-indole Openeye Name: sodium 5-methoxy-3-[2-(3-sulfonatosulfanylpropanoylamino)ethyl]-1H-indole CAS Name: sodium 5-methoxy-3-[2-[[1-oxo-3-(sulfonatothio)propyl]amino]ethyl]-1H-indole IUPAC Name: sodium 5-methoxy-3-[2-(3-sulfonatosulfanylpropanoylamino)ethyl]-1H-indole Traditional Name: sodium 5-methoxy-3-[2-[3-(sulfonatothio)propanoylamino]ethyl]-1H-indole Formula: C14H17N2NaO5S2 MolecularWeight: 380.41495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5S2.Na/c1-21-11-2-3-13-12(8-11)10(9-16-13)4-6-15-14(17)5-7-22-23(18,19)20;/h2-3,8-9,16H,4-7H2,1H3,(H,15,17)(H,18,19,20);/q;+1/p-1