TN8
Summary
| Name: | ~{N}'-(4-iodophenyl)-~{N}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid |
| Formula: | C15 H16 I N3 O2 S Se |
| Formal charge: | 0 |
| Formula weight: | 508.236 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}'-(4-iodophenyl)-~{N}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16IN3O2SSe/c16-12-3-5-13(6-4-12)19-15(23)18-10-9-11-1-7-14(8-2-11)22(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,23) |
| InChIKey | InChI | 1.03 | FXNHQTUZYHDCOC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(CCNC([SeH])=Nc2ccc(I)cc2)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(CCNC([SeH])=Nc2ccc(I)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCN/C(=N/c2ccc(cc2)I)/[SeH])S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCNC(=Nc2ccc(cc2)I)[SeH])S(=O)(=O)N |
