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

Systemtic Name: 2-[(2,4-dinitro-5-sulfamoyl-phenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate Openeye Name: 2-[N-(2-methylsulfonyloxyethyl)-2,4-dinitro-5-sulfamoyl-anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[N-(2-methylsulfonyloxyethyl)-2,4-dinitro-5-sulfamoylanilino]ethyl ester IUPAC Name: 2-[N-(2-methylsulfonyloxyethyl)-2,4-dinitro-5-sulfamoylanilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[N-(2-methylsulfonyloxyethyl)-2,4-dinitro-5-sulfamoyl-anilino]ethyl ester Formula: C12H18N4O12S3 MolecularWeight: 506.48592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O12S3/c1-29(21,22)27-5-3-14(4-6-28-30(2,23)24)9-8-12(31(13,25)26)11(16(19)20)7-10(9)15(17)18/h7-8H,3-6H2,1-2H3,(H2,13,25,26)