RZ5
N-pentyl-4-sulfamoylbenzamide
| Created: | 2011-05-16 |
| Last modified: | 2011-06-04 |
Find Related PDB Entry |
|---|
Find related ligands: |
|---|
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 36 |
| Chiral Atom Count | 0 |
| Bond Count | 36 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
|---|---|
| Name | N-pentyl-4-sulfamoylbenzamide |
| Systematic Name (OpenEye OEToolkits) | N-pentyl-4-sulfamoyl-benzamide |
| Formula | C12 H18 N2 O3 S |
| Molecular Weight | 270.348 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(C(=O)NCCCCC)cc1 |
| SMILES | CACTVS | 3.370 | CCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N |
| Canonical SMILES | CACTVS | 3.370 | CCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.7.2 | CCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H18N2O3S/c1-2-3-4-9-14-12(15)10-5-7-11(8-6-10)18(13,16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H2,13,16,17) |
| InChIKey | InChI | 1.03 | KESWXTXQYSIIJQ-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 23274923 |
| ChEMBL | CHEMBL149507 |














