| SpectraBase Spectrum ID |
FdPSdklD8eI |
| Name |
Benzenesulfonamide, N-[3-[(3-aminopropyl)[(4-methylphenyl)sulfonyl]amino]propyl]-4-methyl-N-[3-[[(4-methylphenyl)sulfonyl][3-[[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]amino]propyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1098.502612931 u |
| Formula |
C55H82N6O9S4 |
| InChI |
InChI=1S/C55H82N6O9S4/c1-47-20-28-51(29-21-47)71(63,64)58(39-14-36-56)41-16-43-60(73(67,68)53-32-24-49(3)25-33-53)45-18-46-61(74(69,70)54-34-26-50(4)27-35-54)44-17-42-59(72(65,66)52-30-22-48(2)23-31-52)40-15-38-57-37-13-11-9-7-5-6-8-10-12-19-55(57)62/h20-35H,5-19,36-46,56H2,1-4H3 |
| InChIKey |
MLGRXXYYMANDCC-UHFFFAOYSA-N |
| Molecular Weight |
1099.534 g/mol |
| SMILES |
C1CCCCCC(N(CCCN(CCCN(CCCN(S(=O)(=O)C2=CC=C(C=C2)C)CCCN(S(=O)(=O)C2=CC=C(C=C2)C)CCCN)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(C2=CC=C(C=C2)C)=O)CCCCC1)=O |
![Benzenesulfonamide, N-[3-[(3-aminopropyl)[(4-methylphenyl)sulfonyl]amino]propyl]-4-methyl-N-[3-[[(4-methylphenyl)sulfonyl][3-[[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]amino]propyl]-](/api/spectrum/FdPSdklD8eI/structure.png?h=300&w=458 "Benzenesulfonamide, N-[3-[(3-aminopropyl)[(4-methylphenyl)sulfonyl]amino]propyl]-4-methyl-N-[3-[[(4-methylphenyl)sulfonyl][3-[[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]amino]propyl]-")
