| CAS Number | 893725-62-7 |
| Catalog Number | AG01A0OC |
| Chemical Name | 4-[4-(4-Methoxybenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid |
| IUPAC Name | 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid |
| InChI | InChI=1S/C15H20N2O6S/c1-23-12-2-4-13(5-3-12)24(21,22)17-10-8-16(9-11-17)14(18)6-7-15(19)20/h2-5H,6-11H2,1H3,(H,19,20) |
| InChI Key | ABCDJDYPJYKEMH-UHFFFAOYSA-N |
| MDL Number | MFCD05862858 |
| Molecular Formula | C15H20N2O6S |
| Molecular Weight | 356.3941 |
| SMILES | COC1=CC=C(S(N2CCN(C(CCC(O)=O)=O)CC2)(=O)=O)C=C1 |
| Synonyms | 4-[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid,
893725-62-7,
AC1M0L05,
ZINC2457710,
SBB040556,
AKOS000268803,
MCULE-8460749899,
NE18166,
Z55148733,
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid,
4-[4-(4-Methoxyphenylsulfonyl)piperazin-1-yl]-4-oxo-butyric acid,
4-{4-[(4-methoxyphenyl)sulfonyl]piperazinyl}-4-oxobutanoic acid,
CID2051934,
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxo-butanoic Acid,
|
| Complexity | 543 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.393g/mol |
| Monoisotopic Mass | 356.104g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number