| SpectraBase Spectrum ID |
EcGvp1dGRD |
| Name |
1-(2,4-Dimethylphenyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.140927403 u |
| Formula |
C19H23N3O4S |
| InChI |
InChI=1S/C19H23N3O4S/c1-14-4-7-18(16(3)12-14)20-8-10-21(11-9-20)27(25,26)19-13-17(22(23)24)6-5-15(19)2/h4-7,12-13H,8-11H2,1-3H3 |
| InChIKey |
IJAZNNBMXGGMBP-UHFFFAOYSA-N |
| Molecular Weight |
389.470 g/mol |
| SMILES |
CC=1C=C(C(N2CCN(S(C3=CC(N(=O)=O)=CC=C3C)(=O)=O)CC2)=CC1)C |
