TQW
Summary
| Name: | 4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
| Formula: | C17 H17 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 331.386 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17NO4S/c1-22-15-6-9-17-14(11-15)3-2-10-18(17)23(20,21)16-7-4-13(12-19)5-8-16/h4-9,11-12H,2-3,10H2,1H3 |
| InChIKey | InChI | 1.03 | JWWDOSUXWBDNPH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3 |
| SMILES | CACTVS | 3.385 | COc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O |
