VQZ
Summary
| Name: | N-[2-(aminomethyl)phenyl]methanesulfonamide |
| Formula: | C8 H12 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 200.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(aminomethyl)phenyl]methanesulfonamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(aminomethyl)phenyl]methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(C)(=O)Nc1ccccc1CN |
| InChI | InChI | 1.06 | InChI=1S/C8H12N2O2S/c1-13(11,12)10-8-5-3-2-4-7(8)6-9/h2-5,10H,6,9H2,1H3 |
| InChIKey | InChI | 1.06 | GUCNMQCZHRIZSR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)Nc1ccccc1CN |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)Nc1ccccc1CN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Nc1ccccc1CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Nc1ccccc1CN |
