A1H15
Summary
| Name: | 1-carbamimidoyl-3-[(4-sulfamoylphenyl)methyl]guanidine |
| Formula: | C9 H14 N6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 270.311 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-carbamimidoyl-3-[(4-sulfamoylphenyl)methyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H14N6O2S/c10-8(11)15-9(12)14-5-6-1-3-7(4-2-6)18(13,16)17/h1-4H,5H2,(H2,13,16,17)(H6,10,11,12,14,15) |
| InChIKey | InChI | 1.06 | ANGRTLKLSBCWDK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NC(=N)NCc1ccc(cc1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | NC(=N)NC(=N)NCc1ccc(cc1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/N/C(=N\[H])/NCc1ccc(cc1)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNC(=N)NC(=N)N)S(=O)(=O)N |
