| SpectraBase Spectrum ID |
71TdHvjyh50 |
| Name |
N-benzenesulfonyl-3-phenyl-3a-cyano-1,2,3,4,5,7a-hexahydroisoindole |
| Alternate Name(s) |
(3S,3aR,7aS)-3-phenyl-2-(phenylsulfonyl)-2,3,3a,4,5,7a-hexahydro-1H-isoindole-3a-carbonitrile
(3S,3aR,7aS)-2-(benzenesulfonyl)-3-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carbonitrile
(3S,3aR,7aS)-3-phenyl-2-(phenylsulfonyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carbonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20N2O2S |
| InChI |
InChI=1S/C21H20N2O2S/c22-16-21-14-8-7-11-18(21)15-23(20(21)17-9-3-1-4-10-17)26(24,25)19-12-5-2-6-13-19/h1-7,9-13,18,20H,8,14-15H2/t18-,20+,21-/m1/s1 |
| InChIKey |
KNOZYWUSJZWXCS-HLAWJBBLSA-N |
| Literature Reference DOI |
10.1021/jo1005087 |
| Molecular Weight |
364.463 g/mol |
| SMILES |
c1c(S(N2C[C@@]3([C@](CCC=C3)([C@@]2(c2ccccc2)[H])C#N)[H])(=O)=O)cccc1 |
| SPLASH |
splash10-014i-2900000000-bb04e2012c6be7416fe5 |
| Source of Spectrum |
J-75-3758-16a |
| Wiley ID |
1746571 |
