TW8
Summary
| Name: | 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde |
| Formula: | C15 H14 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 302.348 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H14N2O3S/c18-11-12-5-7-13(8-6-12)21(19,20)17-10-9-16-14-3-1-2-4-15(14)17/h1-8,11,16H,9-10H2 |
| InChIKey | InChI | 1.03 | GOMXOBFYQBMFTF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCNc3ccccc23 |
| SMILES | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCNc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)NCCN2S(=O)(=O)c3ccc(cc3)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)NCCN2S(=O)(=O)c3ccc(cc3)C=O |
