| SpectraBase Spectrum ID |
BCQmpfYRnya |
| Name |
N-Benzoyl-o-benzyl-N-(phenylsulfonyl)-2,5-diamino-4-(1,1-bis(methoxycarbonyl)methyl)phenol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
588.156637036 u |
| Formula |
C31H28N2O8S |
| InChI |
InChI=1S/C31H28N2O8S/c1-39-30(35)28(31(36)40-2)24-18-26(33-42(37,38)23-16-10-5-11-17-23)27(41-20-21-12-6-3-7-13-21)19-25(24)32-29(34)22-14-8-4-9-15-22/h3-19,28,33H,20H2,1-2H3,(H,32,34) |
| InChIKey |
LVNPXDMMZIXGQH-UHFFFAOYSA-N |
| Molecular Weight |
588.631 g/mol |
| SMILES |
C1(NS(=O)(=O)C=2C=CC=CC2)=CC(C(C(=O)OC)C(=O)OC)=C(C=C1OCC=1C=CC=CC1)NC(=O)C=1C=CC=CC1 |
