2,6-dinitro-4-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]benzenesulfonic acid; sodium

Systemtic Name: 2,6-dinitro-4-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]benzenesulfonic acid; sodium Openeye Name: 4-[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)carbamoyl]-2,6-dinitro-benzenesulfonic acid; sodium CAS Name: 4-[[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl)amino]-oxomethyl]-2,6-dinitrobenzenesulfonic acid; sodium IUPAC Name: 4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]-2,6-dinitrobenzenesulfonic acid; sodium Traditional Name: 4-[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)carbamoyl]-2,6-dinitro-besylic acid; sodium Formula: C16H22N4NaO9S MolecularWeight: 469.42205

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(N1O)(C)C)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])C.[Na]

Isomeric SMILES

CC1(CC(CC(N1O)(C)C)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])C.[Na]

InChI

InChI=1S/C16H22N4O9S.Na/c1-15(2)7-10(8-16(3,4)20(15)26)17-14(21)9-5-11(18(22)23)13(30(27,28)29)12(6-9)19(24)25;/h5-6,10,26H,7-8H2,1-4H3,(H,17,21)(H,27,28,29);