6LH
Summary
| Name: | 4-(aminomethyl)benzene-1-sulfonamide |
| Formula: | C7 H10 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 186.231 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(aminomethyl)benzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.4 | 4-(aminomethyl)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S(c1ccc(CN)cc1)(=O)(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11) |
| InChIKey | InChI | 1.03 | TYMRLRRVMHJFTF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(cc1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | NCc1ccc(cc1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1CN)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1CN)S(=O)(=O)N |
