RefMet Compound Details

MW structure42834 (View MW Metabolite Database details)
RefMet nameSotalol
Systematic nameN-(4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenyl)methanesulfonamide
SMILESCC(C)NCC(O)c1ccc(cc1)NS(C)(=O)=O
Exact mass272.119463 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC12H20N2O3SView other entries in RefMet with this formula
InChIInChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
InChIKeyZBMZVLHSJCTVON-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassBenzenoids
Main ClassBenzenes
Sub ClassSulfanilides
Pubchem CID5253
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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