| SpectraBase Spectrum ID |
5KYUQhyYjHx |
| Name |
Tert-butyl 3-((E)-2-{benzyl-[(4-methylphenyl)sulfonyl]amino}ethynyl)-1H-indole-1-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.192628624 u |
| Formula |
C29H30N2O4S |
| InChI |
InChI=1S/C29H30N2O4S/c1-22-14-16-25(17-15-22)36(33,34)30(20-23-10-6-5-7-11-23)19-18-24-21-31(28(32)35-29(2,3)4)27-13-9-8-12-26(24)27/h5-19,21H,20H2,1-4H3/b19-18+ |
| InChIKey |
PGGRWVLPSKRBDN-VHEBQXMUSA-N |
| Molecular Weight |
502.629 g/mol |
| SMILES |
C1(\C=C\N(S(C=2C=CC(=CC2)C)(=O)=O)CC2=CC=CC=C2)=CN(C(OC(C)(C)C)=O)C2=C1C=CC=C2 |
![Tert-butyl 3-((E)-2-{benzyl-[(4-methylphenyl)sulfonyl]amino}ethynyl)-1H-indole-1-carboxylate](/api/spectrum/5KYUQhyYjHx/structure.png?h=300&w=458 "Tert-butyl 3-((E)-2-{benzyl-[(4-methylphenyl)sulfonyl]amino}ethynyl)-1H-indole-1-carboxylate")
