| CAS Number | 1803599-39-4 |
| Catalog Number | AG019L6J |
| Chemical Name | 4-[3-nitro-4-(piperazin-1-yl)benzenesulfonyl]morpholine hydrochloride |
| IUPAC Name | 4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine;hydrochloride |
| InChI | InChI=1S/C14H20N4O5S.ClH/c19-18(20)14-11-12(24(21,22)17-7-9-23-10-8-17)1-2-13(14)16-5-3-15-4-6-16;/h1-2,11,15H,3-10H2;1H |
| InChI Key | STPLJKMZJPSCAD-UHFFFAOYSA-N |
| MDL Number | MFCD28145647 |
| Molecular Formula | C14H21ClN4O5S |
| Molecular Weight | 392.8583 |
| SMILES | Cl.[O-][N+](C1=C(N2CCNCC2)C=CC(S(N2CCOCC2)(=O)=O)=C1)=O |
| Synonyms | 4-[3-nitro-4-(piperazin-1-yl)benzenesulfonyl]morpholine hydrochloride,
1803599-39-4,
|
| Complexity | 534 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 392.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.855g/mol |
| Monoisotopic Mass | 392.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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