| CAS Number | 1365803-52-6 |
| Catalog Number | AG01EIP1 |
| Chemical Name | N-{2-[4-(but-2-yn-1-yloxy)benzenesulfonyl]-1-[4-(methanesulfonamidomethyl)phenyl]ethyl}-N-hydroxyformamide |
| IUPAC Name | N-[2-(4-but-2-ynoxyphenyl)sulfonyl-1-[4-(methanesulfonamidomethyl)phenyl]ethyl]-N-hydroxyformamide |
| InChI | InChI=1S/C21H24N2O7S2/c1-3-4-13-30-19-9-11-20(12-10-19)32(28,29)15-21(23(25)16-24)18-7-5-17(6-8-18)14-22-31(2,26)27/h5-12,16,21-22,25H,13-15H2,1-2H3 |
| InChI Key | VIWDSTUVCAZZDF-UHFFFAOYSA-N |
| MDL Number | MFCD31736385 |
| Molecular Formula | C21H24N2O7S2 |
| Molecular Weight | 480.5545 |
| SMILES | C(C#CC)OC1=CC=C(C=C1)S(=O)(=O)CC(C1=CC=C(C=C1)CNS(=O)(=O)C)N(C=O)O |
| Synonyms | KP-457,
1365803-52-6,
SCHEMBL10024432,
HY-110397,
CS-0040432,
N-{2-[4-(but-2-yn-1-yloxy)benzenesulfonyl]-1-[4-(methanesulfonamidomethyl)phenyl]ethyl}-N-hydroxyformamide,
|
| Complexity | 865 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 480.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 480.55g/mol |
| Monoisotopic Mass | 480.102g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 147A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number