2-[[5-(2-hydroxyethylcarbamoyl)-2,4-dinitro-phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate

Systemtic Name: 2-[[5-(2-hydroxyethylcarbamoyl)-2,4-dinitro-phenyl]-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate Openeye Name: 2-[5-(2-hydroxyethylcarbamoyl)-N-(2-methylsulfonyloxyethyl)-2,4-dinitro-anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[5-[(2-hydroxyethylamino)-oxomethyl]-N-(2-methylsulfonyloxyethyl)-2,4-dinitroanilino]ethyl ester IUPAC Name: 2-[5-(2-hydroxyethylcarbamoyl)-N-(2-methylsulfonyloxyethyl)-2,4-dinitroanilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[5-(2-hydroxyethylcarbamoyl)-N-(2-methylsulfonyloxyethyl)-2,4-dinitro-anilino]ethyl ester Formula: C15H22N4O12S2 MolecularWeight: 514.48478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=C(C=C(C(=C1)C(=O)NCCO)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=C(C=C(C(=C1)C(=O)NCCO)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O12S2/c1-32(26,27)30-7-4-17(5-8-31-33(2,28)29)13-9-11(15(21)16-3-6-20)12(18(22)23)10-14(13)19(24)25/h9-10,20H,3-8H2,1-2H3,(H,16,21)