RZ8
N-hexyl-4-sulfamoylbenzamide
| Created: | 2011-05-17 |
| Last modified: | 2011-06-04 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 39 |
| Chiral Atom Count | 0 |
| Bond Count | 39 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | N-hexyl-4-sulfamoylbenzamide |
| Systematic Name (OpenEye OEToolkits) | N-hexyl-4-sulfamoyl-benzamide |
| Formula | C13 H20 N2 O3 S |
| Molecular Weight | 284.375 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(C(=O)NCCCCCC)cc1 |
| SMILES | CACTVS | 3.370 | CCCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N |
| Canonical SMILES | CACTVS | 3.370 | CCCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.7.2 | CCCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2O3S/c1-2-3-4-5-10-15-13(16)11-6-8-12(9-7-11)19(14,17)18/h6-9H,2-5,10H2,1H3,(H,15,16)(H2,14,17,18) |
| InChIKey | InChI | 1.03 | KLHBIQFDNTURJX-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 11778627 |
| ChEMBL | CHEMBL72963 |














