UVQ
Summary
| Name: | 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
| Formula: | C16 H14 F N O3 S |
| Formal charge: | 0 |
| Formula weight: | 319.351 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14FNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2 |
| InChIKey | InChI | 1.03 | HFGLWYIDQNXWJN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3 |
| SMILES | CACTVS | 3.385 | Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F |
