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Technical details about CAS 149436-41-9, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 149436-41-9, Methanesulfonamide, n-[4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl]-, hydrochloride (1:1), N-(4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamide hcl, N-[4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl]methanesulfonamide;hydrochloride, C16h19cln2o5s, 2-amino-1-(2-methoxy-4-methanesulfonylamino-5-phenoxyphenyl)ethanone hydrochloride
Molecular Formula
C16H19ClN2O5S
Molecular Weight
386.9  g/mol
InChI Key
NWUBXODWWYGUHS-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl]methanesulfonamide;hydrochloride
2.1.2 InChI
InChI=1S/C16H18N2O5S.ClH/c1-22-15-9-13(18-24(2,20)21)16(8-12(15)14(19)10-17)23-11-6-4-3-5-7-11;/h3-9,18H,10,17H2,1-2H3;1H
2.1.3 InChI Key
NWUBXODWWYGUHS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC(=C(C=C1C(=O)CN)OC2=CC=CC=C2)NS(=O)(=O)C.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 149436-41-9

2. Methanesulfonamide, N-[4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl]-, Hydrochloride (1:1)

3. N-(4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamide Hcl

4. N-[4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl]methanesulfonamide;hydrochloride

5. C16h19cln2o5s

6. 2-amino-1-(2-methoxy-4-methanesulfonylamino-5-phenoxyphenyl)ethanone Hydrochloride

7. Dtxsid30657703

8. Nwubxodwwyguhs-uhfffaoysa-n

9. Mfcd12911398

10. Akos015888750

11. Sb83703

12. N-(4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl)-methanesulfonamide Hydrochloride

13. Ds-18533

14. Am20090783

15. Cs-0150601

16. Ft-0652091

17. C72844

18. A808892

19. Aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamide Hydrochloride

20. N-(4-glycyl-5-methoxy-2-phenoxyphenyl)methanesulfonamide Hydrochloride

21. N-(4-(2-aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamidehydrochloride

22. N-(4-glycyl-5-methoxy-2-phenoxyphenyl)methanesulfonamide--hydrogen Chloride (1/1)

23. N-[4-(2-aminoacetyl)-5-methoxy-2-phenoxy-phenyl]methanesulfonamide Hydrochloride

2.3 Create Date
2009-09-01
3 Chemical and Physical Properties
Molecular Weight 386.9 g/mol
Molecular Formula C16H19ClN2O5S
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area116
Heavy Atom Count25
Formal Charge0
Complexity513
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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