| SpectraBase Spectrum ID |
2nEjnODUTH4 |
| Name |
3-[1-(Benzenesulfonyl)-5-(3-methoxyphenyl)-3-indolyl]-N,N-dimethyl-2-propyn-1-amine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.150763812 u |
| Formula |
C26H24N2O3S |
| InChI |
InChI=1S/C26H24N2O3S/c1-27(2)16-8-10-22-19-28(32(29,30)24-12-5-4-6-13-24)26-15-14-21(18-25(22)26)20-9-7-11-23(17-20)31-3/h4-7,9,11-15,17-19H,16H2,1-3H3 |
| InChIKey |
QUYGOOVSUQELGN-UHFFFAOYSA-N |
| Molecular Weight |
444.549 g/mol |
| SMILES |
CN(C)CC#CC1=CN(C2=C1C=C(C=C2)C=1C=C(C=CC1)OC)S(=O)(=O)C=1C=CC=CC1 |
![3-[1-(benzenesulfonyl)-5-(3-methoxyphenyl)-3-indolyl]-N,N-dimethyl-2-propyn-1-amine](/api/spectrum/2nEjnODUTH4/structure.png?h=300&w=458 "3-[1-(benzenesulfonyl)-5-(3-methoxyphenyl)-3-indolyl]-N,N-dimethyl-2-propyn-1-amine")
