UT8
Summary
| Name: | 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
| Formula: | C16 H15 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 333.359 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15NO5S/c1-21-13-4-7-15-16(10-13)22-9-8-17(15)23(19,20)14-5-2-12(11-18)3-6-14/h2-7,10-11H,8-9H2,1H3 |
| InChIKey | InChI | 1.03 | MLUUQFXYDBEHMS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3 |
| SMILES | CACTVS | 3.385 | COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)OCCN2S(=O)(=O)c3ccc(cc3)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)OCCN2S(=O)(=O)c3ccc(cc3)C=O |
