| SpectraBase Spectrum ID |
JDfdcgsfnoG |
| Name |
1,11-Etheno-8,4-nitrilo-4H-6-benzazacyclotridecine, 2,3,9,10-tetrahydro-3,9-bis(methylsulfinyl)-, stereoisomer |
| CAS Registry Number |
100155-60-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20N2O2S2 |
| InChI |
InChI=1S/C20H20N2O2S2/c1-25(23)19-9-13-7-8-14(16-6-4-3-5-15(13)16)10-20(26(2)24)18-12-21-11-17(19)22-18/h3-8,11-12,19-20H,9-10H2,1-2H3 |
| InChIKey |
HLVLJULDJIGRLK-UHFFFAOYSA-N |
| Molecular Weight |
384.512 g/mol |
| SMILES |
c12nc(C(Cc3c4ccccc4c(CC2S(=O)C)cc3)S(=O)C)cnc1 |
| SPLASH |
splash10-0a4i-0092000000-1c157a0dcc202cb18ca6 |
| Source of Spectrum |
K-118-4918-25 |
| Synonyms |
1,12-bis(methylthio)[2](1,4)naphthaleno[2](2,6)pyrazinophane-S,S'-dioxide
3,9-bis(methylsulfinyl)-6,20-diazatetracyclo[9.6.2.1(4,8).0(12,17)]icosa-1(17),4(20),5,7,11,13,15,18-octaene |
| Wiley ID |
1361452 |
