OKZ
Summary
| Name: | 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide |
| Formula: | C13 H14 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 294.326 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14N2O4S/c1-2-9-14-20(18,19)11-5-3-10(4-6-11)15-12(16)7-8-13(15)17/h3-8,14H,2,9H2,1H3 |
| InChIKey | InChI | 1.03 | CDNAYYFPRZRBSM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN[S](=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O |
| SMILES | CACTVS | 3.385 | CCCN[S](=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCNS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCNS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O |
