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 |
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PubChem | 11778627 |
ChEMBL | CHEMBL72963 |