SpectraBase Spectrum ID |
AHE80JhFrKY |
Name |
7,22-bis(4'-Methoxyphenylsulfonyl)-7,14,15,22-tetraaza[7.2.7.1.]-(1,3)(1,3)(1,4)(1,4)cyclophan-14-ene |
CAS Registry Number |
140676-46-6 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C51H56N4O6S2 |
InChI |
InChI=1S/C51H56N4O6S2/c1-60-48-27-31-50(32-28-48)62(56,57)54-35-9-5-3-7-13-40-19-23-42(24-20-40)37-43-25-21-41(22-26-43)14-8-4-6-10-36-55(63(58,59)51-33-29-49(61-2)30-34-51)47-18-12-16-45(39-47)53-52-44-15-11-17-46(54)38-44/h11-12,15-34,38-39H,3-10,13-14,35-37H2,1-2H3/b53-52+ |
InChIKey |
DEMQKFVJDIXLFT-KNPAHQFXSA-N |
Molecular Weight |
885.151 g/mol |
SMILES |
c12N(S(c3ccc(cc3)OC)(=O)=O)CCCCCCc3ccc(Cc4ccc(CCCCCCN(c5cc(\N=N\c(c1)ccc2)ccc5)S(c1ccc(cc1)OC)(=O)=O)cc4)cc3 |
SPLASH |
splash10-03di-0000000890-6ed4b53a423161caff4b |
Source of Spectrum |
K-125-1681-8 |
Synonyms |
(19E)-13,26-bis[(4-methoxybenzene)sulfonyl]-13,19,20,26-tetraazapentacyclo[31.2.2.2(3,6).1(14,18).1(21,25)]hentetraconta-1(35),3,5,14,16,18(39),19,21,23,25(38),33,36,40-tridecaene |
Wiley ID |
1417933 |