75Y
Summary
| Name: | 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide |
| Formula: | C12 H11 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 309.298 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3O5S/c13-21(19,20)9-3-1-8(2-4-9)14-10(16)7-15-11(17)5-6-12(15)18/h1-6H,7H2,(H,14,16)(H2,13,19,20) |
| InChIKey | InChI | 1.03 | UXHVNEWXEIRLPY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NC(=O)CN2C(=O)C=CC2=O)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NC(=O)CN2C(=O)C=CC2=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1NC(=O)CN2C(=O)C=CC2=O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1NC(=O)CN2C(=O)C=CC2=O)S(=O)(=O)N |
