| SpectraBase Spectrum ID |
BbWNysMirYX |
| Name |
Methyl ester of trans-(.+-.)-[1-(2-chlorophenyl)-3-[[(4-methylphenyl)sulfonyl]oxy]-2-oxocyclohexyl]methylcarbamic acid |
| Alternate Name(s) |
(1R,3S)-3-(2-chlorophenyl)-3-[(methoxycarbonyl)(methyl)amino]-2-oxocyclohexyl 4-methylbenzenesulfonate |
| CAS Registry Number |
91003-23-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H24ClNO6S |
| InChI |
InChI=1S/C22H24ClNO6S/c1-15-10-12-16(13-11-15)31(27,28)30-19-9-6-14-22(20(19)25,24(2)21(26)29-3)17-7-4-5-8-18(17)23/h4-5,7-8,10-13,19H,6,9,14H2,1-3H3/t19-,22+/m1/s1 |
| InChIKey |
BCRBMHUNAGZVMJ-KNQAVFIVSA-N |
| Molecular Weight |
465.948 g/mol |
| SMILES |
[C@@]1(OS(c2ccc(cc2)C)(=O)=O)(C([C@@](N(C(=O)OC)C)(c2c(Cl)cccc2)CCC1)=O)[H] |
| SPLASH |
splash10-0k96-9704300000-a2a26330cd62fbfaa311 |
| Source of Spectrum |
J-49-3309-0 |
| Wiley ID |
1391696 |
![Methyl ester of trans-(.+-.)-[1-(2-chlorophenyl)-3-[[(4-methylphenyl)sulfonyl]oxy]-2-oxocyclohexyl]methylcarbamic acid](/api/spectrum/BbWNysMirYX/structure.png?h=300&w=458 "Methyl ester of trans-(.+-.)-[1-(2-chlorophenyl)-3-[[(4-methylphenyl)sulfonyl]oxy]-2-oxocyclohexyl]methylcarbamic acid")
