UGE
Summary
| Name: | 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde |
| Formula: | C16 H15 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 301.36 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15NO3S/c18-12-13-7-9-15(10-8-13)21(19,20)17-11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10,12H,3,5,11H2 |
| InChIKey | InChI | 1.03 | DGDWAMQMUQVWBK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23 |
| SMILES | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O |
