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

Systemtic Name: 5-methoxy-3-[2-[2-(2-sulfonatosulfanylethanoylamino)ethanoylamino]ethyl]-1H-indole Openeye Name: 5-methoxy-3-[2-[[2-[(2-sulfonatosulfanylacetyl)amino]acetyl]amino]ethyl]-1H-indole CAS Name: 5-methoxy-3-[2-[[1-oxo-2-[[1-oxo-2-(sulfonatothio)ethyl]amino]ethyl]amino]ethyl]-1H-indole IUPAC Name: 5-methoxy-3-[2-[[2-[(2-sulfonatosulfanylacetyl)amino]acetyl]amino]ethyl]-1H-indole Traditional Name: 5-methoxy-3-[2-[[2-[[2-(sulfonatothio)acetyl]amino]acetyl]amino]ethyl]-1H-indole Formula: C15H18N3O6S2- MolecularWeight: 400.44992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNC(=O)CNC(=O)CSS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC(=O)CNC(=O)CSS(=O)(=O)[O-]

InChI

InChI=1S/C15H19N3O6S2/c1-24-11-2-3-13-12(6-11)10(7-17-13)4-5-16-14(19)8-18-15(20)9-25-26(21,22)23/h2-3,6-7,17H,4-5,8-9H2,1H3,(H,16,19)(H,18,20)(H,21,22,23)/p-1