RZ0
N-butyl-4-sulfamoylbenzamide
Created: | 2011-05-16 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 33 |
Chiral Atom Count | 0 |
Bond Count | 33 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | N-butyl-4-sulfamoylbenzamide |
Systematic Name (OpenEye OEToolkits) | N-butyl-4-sulfamoyl-benzamide |
Formula | C11 H16 N2 O3 S |
Molecular Weight | 256.321 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(C(=O)NCCCC)cc1 |
SMILES | CACTVS | 3.370 | CCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O |
SMILES | OpenEye OEToolkits | 1.7.2 | CCCCNC(=O)c1ccc(cc1)S(=O)(=O)N |
Canonical SMILES | CACTVS | 3.370 | CCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.2 | CCCCNC(=O)c1ccc(cc1)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C11H16N2O3S/c1-2-3-8-13-11(14)9-4-6-10(7-5-9)17(12,15)16/h4-7H,2-3,8H2,1H3,(H,13,14)(H2,12,15,16) |
InChIKey | InChI | 1.03 | QBMVMGJMEIVTPO-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 10355056 |
ChEMBL | CHEMBL75131 |