2-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamothioylamino]ethanesulfonic acid

Systemtic Name: 2-[[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]carbamothioylamino]ethanesulfonic acid Openeye Name: 2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]carbamothioylamino]ethanesulfonic acid CAS Name: 2-[[sulfanylidene-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]amino]methyl]amino]ethanesulfonic acid IUPAC Name: 2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamothioylamino]ethanesulfonic acid Traditional Name: 2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thiocarbamoylamino]ethanesulfonic acid Formula: C9H18N2O8S2 MolecularWeight: 346.37782

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Descriptors Computed from Structure

Canonical SMILES:

C(CS(=O)(=O)O)NC(=S)NC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

C(CS(=O)(=O)O)NC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C9H18N2O8S2/c12-3-4-5(13)6(14)7(15)8(19-4)11-9(20)10-1-2-21(16,17)18/h4-8,12-15H,1-3H2,(H2,10,11,20)(H,16,17,18)/t4-,5-,6+,7-,8-/m1/s1