| SpectraBase Spectrum ID |
CBjiv6azNvb |
| Name |
6-(3'-chlorophenyl)-1-methoxycarbonyl-5-(p-tolylsulphonyl)-1,2,3,4-tetrahydro-1,5-benzodiazocine |
| Alternate Name(s) |
Methyl 6-(3-chlorophenyl)-5-[(4-methylphenyl)sulfonyl]-3,4,5,6-tetrahydro-1,5-benzodiazocine-1(2H)-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H25ClN2O4S |
| InChI |
InChI=1S/C25H25ClN2O4S/c1-18-11-13-21(14-12-18)33(30,31)28-16-6-15-27(25(29)32-2)23-10-4-3-9-22(23)24(28)19-7-5-8-20(26)17-19/h3-5,7-14,17,24H,6,15-16H2,1-2H3 |
| InChIKey |
QGEYBJWLVISLTH-UHFFFAOYSA-N |
| Molecular Weight |
484.998 g/mol |
| SMILES |
C1(N(S(c2ccc(cc2)C)(=O)=O)CCCN(c2c1cccc2)C(=O)OC)c1cc(Cl)ccc1 |
| SPLASH |
splash10-004l-5389000000-8066336c67b742b4c048 |
| Source of Spectrum |
KC-1991-1979-28 |
| Wiley ID |
1395970 |
