Home Sulfos N-[4-(2-Methoxyphenoxy)phenylsulfonyl]-S-MethylhoMocysteine

N-[4-(2-Methoxyphenoxy)phenylsulfonyl]-S-MethylhoMocysteine

CAS No.:
1008965-37-4
Catalog Number:
AG00902I
Molecular Formula:
C18H21NO6S2
Molecular Weight:
411.4924
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Product Description
Catalog Number:
AG00902I
Chemical Name:
N-[4-(2-Methoxyphenoxy)phenylsulfonyl]-S-MethylhoMocysteine
CAS Number:
1008965-37-4
Molecular Formula:
C18H21NO6S2
Molecular Weight:
411.4924
MDL Number:
MFCD05884708
IUPAC Name:
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C18H21NO6S2/c1-24-16-5-3-4-6-17(16)25-13-7-9-14(10-8-13)27(22,23)19-15(18(20)21)11-12-26-2/h3-10,15,19H,11-12H2,1-2H3,(H,20,21)
InChI Key:
ZINZJWYAJXCTMR-UHFFFAOYSA-N
SMILES:
CSCCC(C(=O)O)NS(=O)(=O)c1ccc(cc1)Oc1ccccc1OC
Properties
Complexity:
557  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.081g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
411.487g/mol
Monoisotopic Mass:
411.081g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties