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aldesulfone

Properties

Image

Occurences in reactions

MNX_ID

MNXM161353

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₄H₁₆N₂O₆S₃

charge

mass

404.01705

reference

InChIKey

NEDPPCHNEOMTJV-UHFFFAOYSA-N

InChI

InChI=1S/C14H16N2O6S3/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20)

SMILES

O=S(O)CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)O)cc2)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:135651 chebi:135651	aldesulfone aldapsone aldesulfone sodium diasone sodium sodium aldesulphone sodium sulfoxone sulfoxone sulfoxone sodium
hmdb:HMDB0015276	Sulfoxone Aldesulfon sodium Diasone Sodium aldesulphone Sodium sulfoxone Sulfoxone sodium Sulfoxone, disodium salt Sulphoxone [(4-{4-[(sulfinomethyl)amino]benzenesulfonyl}phenyl)amino]methanesulfinate [(4-{4-[(sulfinomethyl)amino]benzenesulfonyl}phenyl)amino]methanesulfinic acid [(4-{4-[(sulphinomethyl)amino]benzenesulphonyl}phenyl)amino]methanesulphinate [(4-{4-[(sulphinomethyl)amino]benzenesulphonyl}phenyl)amino]methanesulphinic acid sulfoxone
hmdb:HMDB15276	secondary/obsolete/fantasy identifier