RYY
N-propyl-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 | 30 |
| Chiral Atom Count | 0 |
| Bond Count | 30 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | N-propyl-4-sulfamoylbenzamide |
| Systematic Name (OpenEye OEToolkits) | N-propyl-4-sulfamoyl-benzamide |
| Formula | C10 H14 N2 O3 S |
| Molecular Weight | 242.295 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(C(=O)NCCC)cc1 |
| SMILES | CACTVS | 3.370 | CCCNC(=O)c1ccc(cc1)[S](N)(=O)=O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCCNC(=O)c1ccc(cc1)S(=O)(=O)N |
| Canonical SMILES | CACTVS | 3.370 | CCCNC(=O)c1ccc(cc1)[S](N)(=O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.7.2 | CCCNC(=O)c1ccc(cc1)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h3-6H,2,7H2,1H3,(H,12,13)(H2,11,14,15) |
| InChIKey | InChI | 1.03 | YWNDDZRHHBUBPB-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 226552 |
| ChEMBL | CHEMBL74090 |














