methanesulfonic acid; 2-[[(2S,3R)-4-(2-methylsulfonyloxyethylamino)-2,3-bis(oxidanyl)butyl]amino]ethyl methanesulfonate

Systemtic Name: methanesulfonic acid; 2-[[(2S,3R)-4-(2-methylsulfonyloxyethylamino)-2,3-bis(oxidanyl)butyl]amino]ethyl methanesulfonate Openeye Name: 2-[[(2S,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate; methanesulfonic acid CAS Name: methanesulfonic acid; methanesulfonic acid 2-[[(2S,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl ester IUPAC Name: 2-[[(2S,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl methanesulfonate; methanesulfonic acid Traditional Name: mesylic acid; methanesulfonic acid 2-[[(2S,3R)-2,3-dihydroxy-4-(2-methylsulfonyloxyethylamino)butyl]amino]ethyl ester Formula: C12H32N2O14S4 MolecularWeight: 556.64748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)OCCNCC(C(CNCCOS(=O)(=O)C)O)O

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)OCCNC[C@H]([C@H](CNCCOS(=O)(=O)C)O)O

InChI

InChI=1S/C10H24N2O8S2.2CH4O3S/c1-21(15,16)19-5-3-11-7-9(13)10(14)8-12-4-6-20-22(2,17)18;2*1-5(2,3)4/h9-14H,3-8H2,1-2H3;2*1H3,(H,2,3,4)/t9-,10+;;