| CAS Number | 1162257-02-4 |
| Catalog Number | AG00HDPF(AGN-PC-0WA9AQ) |
| Chemical Name | 4-(4-ETHYNYLBENZENESULFONYL)-PIPERAZINE-1-CARBOXYLIC ACID tert-BUTYL ESTER |
| IUPAC Name | tert-butyl 4-(4-ethynylphenyl)sulfonylpiperazine-1-carboxylate |
| InChI | InChI=1S/C17H22N2O4S/c1-5-14-6-8-15(9-7-14)24(21,22)19-12-10-18(11-13-19)16(20)23-17(2,3)4/h1,6-9H,10-13H2,2-4H3 |
| InChI Key | LSSTVRBCIGMSMU-UHFFFAOYSA-N |
| MDL Number | MFCD25562899 |
| Molecular Formula | C17H22N2O4S |
| Molecular Weight | 350.4326 |
| SMILES | C#Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1162257-02-4,
4-(4-ETHYNYLBENZENESULFONYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,
BBL103981,
STL557791,
ZINC95740383,
AKOS024438385,
tert-Butyl 4-(4-ethynylphenyl)sulfonylpiperazine-1-carboxylate,
tert-butyl 4-[(4-ethynylphenyl)sulfonyl]piperazine-1-carboxylate,
4-(4-Ethynylbenzenesulfonyl)-piperazine-1-carboxylicacidtert-butylester,
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| Complexity | 593 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.433g/mol |
| Monoisotopic Mass | 350.13g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number