D3B
Summary
| Name: | 1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea |
| Formula: | C15 H17 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 335.378 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H17N3O4S/c1-9-3-4-10(2)12(7-9)17-15(20)18-13-8-11(23(16,21)22)5-6-14(13)19/h3-8,19H,1-2H3,(H2,16,21,22)(H2,17,18,20) |
| InChIKey | InChI | 1.03 | ITJAYNQSUKWUOO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C)c(NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(C)c(NC(=O)Nc2cc(ccc2O)[S](N)(=O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c(c1)NC(=O)Nc2cc(ccc2O)S(=O)(=O)N)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(c(c1)NC(=O)Nc2cc(ccc2O)S(=O)(=O)N)C |
