| CAS Number | 1008965-37-4 |
| Catalog Number | AG00902I(AGN-PC-0WBQ3Y) |
| Chemical Name | N-([4-(2-Methoxyphenoxy)phenyl]sulfonyl)(methyl)homocysteine |
| 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 |
| MDL Number | MFCD05884708 |
| Molecular Formula | C18H21NO6S2 |
| Molecular Weight | 411.4924 |
| SMILES | COc1ccccc1Oc1ccc(cc1)S(=O)(=O)NC(CCSC)C(O)=O |
| Synonyms | 1008965-37-4,
((4-(2-methoxyphenoxy)phenyl)sulfonyl)methionine,
AC1MSS1O,
MFCD06409366,
STL307436,
AKOS000805747,
AKOS016055261,
MCULE-7629906109,
ST50134431,
SR-01000014154,
N-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}methionine,
SR-01000014154-1,
Z56883367,
F1678-0137,
2-({[4-(2-methoxyphenoxy)phenyl]sulfonyl}amino)-4-methylthiobutanoic acid,
2-(4-(2-methoxyphenoxy)phenylsulfonamido)-4-(methylthio)butanoic acid,
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]-4-methylsulfanylbutanoic acid,
2-[4-(2-methoxyphenoxy)benzenesulfonamido]-4-(methylsulfanyl)butanoic acid,
CID3539197,
N-[4-(2-Methoxyphenoxy)phenylsulfonyl]-S-methyl-DL-homocysteine,
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]-4-methylsulfanyl-butanoic Acid,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number