| SpectraBase Spectrum ID |
3HSK54aPiCS |
| Name |
Azacycloheptadecane, benzenesulfonamide deriv. |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
706.343392436 u |
| Formula |
C35H54N4O7S2 |
| InChI |
InChI=1S/C35H54N4O7S2/c40-35-26-14-6-4-2-1-3-5-9-20-32(39(41)42)21-15-17-28-37(35)29-19-31-38(48(45,46)34-24-12-8-13-25-34)30-18-16-27-36-47(43,44)33-22-10-7-11-23-33/h7-8,10-13,22-25,32,36H,1-6,9,14-21,26-31H2 |
| InChIKey |
ZQGUGVOOWBEWHC-UHFFFAOYSA-N |
| SMILES |
C(N(S(=O)(=O)C=1C=CC=CC1)CCCCNS(=O)(=O)C=1C=CC=CC1)CCN1C(=O)CCCCCCCCCCC(N(=O)=O)CCCC1 |
