| SpectraBase Spectrum ID |
BquCszsNkwU |
| Name |
Benzenesulfonamide, 4-methyl-N-[3-[[(4-methylphenyl)sulfonyl]amino]propyl]-N-[3-[[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
830.378063867 u |
| Formula |
C42H62N4O7S3 |
| InChI |
InChI=1S/C42H62N4O7S3/c1-36-17-23-39(24-18-36)54(48,49)43-29-13-32-45(55(50,51)40-25-19-37(2)20-26-40)34-15-35-46(56(52,53)41-27-21-38(3)22-28-41)33-14-31-44-30-12-10-8-6-4-5-7-9-11-16-42(44)47/h17-28,43H,4-16,29-35H2,1-3H3 |
| InChIKey |
OFHNSJLLWWZSEX-UHFFFAOYSA-N |
| Molecular Weight |
831.159 g/mol |
| SMILES |
C1CCCCCCCCC(N(CC1)CCCN(S(C1=CC=C(C=C1)C)(=O)=O)CCCN(S(C1=CC=C(C=C1)C)(=O)=O)CCCNS(C1=CC=C(C=C1)C)(=O)=O)=O |
![Benzenesulfonamide, 4-methyl-N-[3-[[(4-methylphenyl)sulfonyl]amino]propyl]-N-[3-[[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]-](/api/spectrum/BquCszsNkwU/structure.png?h=300&w=458 "Benzenesulfonamide, 4-methyl-N-[3-[[(4-methylphenyl)sulfonyl]amino]propyl]-N-[3-[[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]-")
