UVE
Summary
| Name: | 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde |
| Formula: | C15 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 303.333 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H13NO4S/c17-11-12-5-7-13(8-6-12)21(18,19)16-9-10-20-15-4-2-1-3-14(15)16/h1-8,11H,9-10H2 |
| InChIKey | InChI | 1.03 | PPKCVZZBSKTFSM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCOc3ccccc23 |
| SMILES | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCOc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N(CCO2)S(=O)(=O)c3ccc(cc3)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)N(CCO2)S(=O)(=O)c3ccc(cc3)C=O |
