A1IRV
Summary
| Name: | 1-carbamimidoyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine |
| Synonyms: | 1-carbamimidamido-N-[2-(4-sulfamoylphenyl)ethyl]methanimidamide |
| Formula: | C10 H16 N6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 284.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-carbamimidoyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H16N6O2S/c11-9(12)16-10(13)15-6-5-7-1-3-8(4-2-7)19(14,17)18/h1-4H,5-6H2,(H2,14,17,18)(H6,11,12,13,15,16) |
| InChIKey | InChI | 1.06 | QRPJLVINULAAJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NC(=N)NCCc1ccc(cc1)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | NC(=N)NC(=N)NCCc1ccc(cc1)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\N/C(=N\[H])/NCCc1ccc(cc1)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCNC(=N)NC(=N)N)S(=O)(=O)N |
