4-[[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxyethanoylamino]methyl]benzenesulfonic acid

Systemtic Name: 4-[[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxyethanoylamino]methyl]benzenesulfonic acid Openeye Name: 4-[[[2-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxyacetyl]amino]methyl]benzenesulfonic acid CAS Name: 4-[[[1-oxo-2-[[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]ethyl]amino]methyl]benzenesulfonic acid IUPAC Name: 4-[[[2-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyacetyl]amino]methyl]benzenesulfonic acid Traditional Name: 4-[[[2-[(2S,3R,4S,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]oxyacetyl]amino]methyl]besylic acid Formula: C15H21NO10S MolecularWeight: 407.39294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)COC2C(C(C(OC2O)CO)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CO[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)S(=O)(=O)O

InChI

InChI=1S/C15H21NO10S/c17-6-10-12(19)13(20)14(15(21)26-10)25-7-11(18)16-5-8-1-3-9(4-2-8)27(22,23)24/h1-4,10,12-15,17,19-21H,5-7H2,(H,16,18)(H,22,23,24)/t10-,12-,13+,14-,15+/m1/s1