2-[(5-aminocarbonyl-2,4-dinitro-phenyl)-(2-sulfamoyloxyethyl)amino]ethyl sulfamate

Systemtic Name: 2-[(5-aminocarbonyl-2,4-dinitro-phenyl)-(2-sulfamoyloxyethyl)amino]ethyl sulfamate Openeye Name: 2-[5-carbamoyl-2,4-dinitro-N-(2-sulfamoyloxyethyl)anilino]ethyl sulfamate CAS Name: sulfamic acid 2-[5-carbamoyl-2,4-dinitro-N-(2-sulfamoyloxyethyl)anilino]ethyl ester IUPAC Name: 2-[5-carbamoyl-2,4-dinitro-N-(2-sulfamoyloxyethyl)anilino]ethyl sulfamate Traditional Name: sulfamic acid 2-[5-carbamoyl-2,4-dinitro-N-(2-sulfamoyloxyethyl)anilino]ethyl ester Formula: C11H16N6O11S2 MolecularWeight: 472.40834

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N(CCOS(=O)(=O)N)CCOS(=O)(=O)N)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=C(C(=CC(=C1N(CCOS(=O)(=O)N)CCOS(=O)(=O)N)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C11H16N6O11S2/c12-11(18)7-5-9(10(17(21)22)6-8(7)16(19)20)15(1-3-27-29(13,23)24)2-4-28-30(14,25)26/h5-6H,1-4H2,(H2,12,18)(H2,13,23,24)(H2,14,25,26)