[(E)-[1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-2-(4-oxidanyl-1H-indol-3-yl)ethylidene]amino] sulfate

Systemtic Name: [(E)-[1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-2-(4-oxidanyl-1H-indol-3-yl)ethylidene]amino] sulfate Openeye Name: [(E)-[2-(4-hydroxy-1H-indol-3-yl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-ethylidene]amino] sulfate CAS Name: [(E)-[2-(4-hydroxy-1H-indol-3-yl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]ethylidene]amino] sulfate IUPAC Name: [(E)-[2-(4-hydroxy-1H-indol-3-yl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate Traditional Name: [(E)-[2-(4-hydroxy-1H-indol-3-yl)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]ethylidene]amino] sulfate Formula: C16H19N2O10S2- MolecularWeight: 463.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=CN2)CC(=NOS(=O)(=O)[O-])SC3C(C(C(C(O3)CO)O)O)O

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=CN2)C/C(=N\OS(=O)(=O)[O-])/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C16H20N2O10S2/c19-6-10-13(21)14(22)15(23)16(27-10)29-11(18-28-30(24,25)26)4-7-5-17-8-2-1-3-9(20)12(7)8/h1-3,5,10,13-17,19-23H,4,6H2,(H,24,25,26)/p-1/b18-11+/t10-,13-,14+,15-,16+/m1/s1