T0S
Summary
| Name: | N-[(4-sulfamoylphenyl)methyl]acetamide |
| Formula: | C9 H12 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 228.268 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(4-sulfamoylphenyl)methyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(4-sulfamoylphenyl)methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc(CNC(C)=O)c1)S(N)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14) |
| InChIKey | InChI | 1.03 | AHQONKCJXWTTOW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCc1ccc(cc1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)NCc1ccc(cc1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCc1ccc(cc1)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCc1ccc(cc1)S(=O)(=O)N |
