| SpectraBase Spectrum ID |
94QF5VN3KGS |
| Name |
Benzenamine, N,N-bis[4-[(4-chlorophenyl)sulfonyl]-2-butynyl]-4-methyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
559.044555969 u |
| Formula |
C27H23Cl2NO4S2 |
| InChI |
InChI=1S/C27H23Cl2NO4S2/c1-22-6-12-25(13-7-22)30(18-2-4-20-35(31,32)26-14-8-23(28)9-15-26)19-3-5-21-36(33,34)27-16-10-24(29)11-17-27/h6-17H,18-21H2,1H3 |
| InChIKey |
FRDDVCDHAILKBI-UHFFFAOYSA-N |
| Molecular Weight |
560.510 g/mol |
| SMILES |
C1(S(=O)(=O)CC#CCN(C2=CC=C(C=C2)C)CC#CCS(C=2C=CC(=CC2)Cl)(=O)=O)=CC=C(C=C1)Cl |
![Benzenamine, N,N-bis[4-[(4-chlorophenyl)sulfonyl]-2-butynyl]-4-methyl-](/api/spectrum/94QF5VN3KGS/structure.png?h=300&w=458 "Benzenamine, N,N-bis[4-[(4-chlorophenyl)sulfonyl]-2-butynyl]-4-methyl-")
