| CAS Number | 890281-18-2 |
| Catalog Number | AG019UJM |
| Chemical Name | ethyl 2-[4-(benzenesulfonyl)piperazin-1-yl]acetate |
| IUPAC Name | ethyl 2-[4-(benzenesulfonyl)piperazin-1-yl]acetate |
| InChI | InChI=1S/C14H20N2O4S/c1-2-20-14(17)12-15-8-10-16(11-9-15)21(18,19)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3 |
| InChI Key | AFCOFRSAZNSZDI-UHFFFAOYSA-N |
| MDL Number | MFCD06052956 |
| Molecular Formula | C14H20N2O4S |
| Molecular Weight | 312.3846 |
| SMILES | CCOC(CN1CCN(S(C2=CC=CC=C2)(=O)=O)CC1)=O |
| Synonyms | Ethyl 2-[4-(benzenesulfonyl)piperazin-1-yl]acetate,
890281-18-2,
AC1NB6X6,
AC1Q34VK,
CTK6F8887,
STK482122,
ZINC34914092,
AKOS003343724,
MCULE-7303808370,
NE13092,
ST50840113,
EN300-41879,
ethyl 2-[4-(phenylsulfonyl)piperazinyl]acetate,
ethyl [4-(phenylsulfonyl)piperazin-1-yl]acetate,
Z105184750,
CID4463428,
|
| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.384g/mol |
| Monoisotopic Mass | 312.114g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number