| SpectraBase Spectrum ID |
B2UsNdS0VX2 |
| Name |
5-Acetyl-4-amino-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-2-(methylamino)thiophene-3-carboxamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
463.098411139 u |
| Formula |
C19H21N5O5S2 |
| InChI |
InChI=1S/C19H21N5O5S2/c1-9-10(2)23-29-18(9)24-31(27,28)13-7-5-12(6-8-13)22-17(26)14-15(20)16(11(3)25)30-19(14)21-4/h5-8,21,24H,20H2,1-4H3,(H,22,26) |
| InChIKey |
NFSBLRCBKYIZRS-UHFFFAOYSA-N |
| Molecular Weight |
463.527 g/mol |
| SMILES |
C=1(C(=C(C(=O)C)SC1NC)N)C(NC=1C=CC(S(NC2=C(C(C)=NO2)C)(=O)=O)=CC1)=O |
![5-Acetyl-4-amino-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-2-(methylamino)thiophene-3-carboxamide](/api/spectrum/B2UsNdS0VX2/structure.png?h=300&w=458 "5-Acetyl-4-amino-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-2-(methylamino)thiophene-3-carboxamide")
