TVB
Summary
| Name: | 4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde |
| Formula: | C17 H17 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 315.387 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17NO3S/c1-13-6-9-15-4-2-3-5-17(15)18(13)22(20,21)16-10-7-14(12-19)8-11-16/h2-5,7-8,10-13H,6,9H2,1H3/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | RSNAWSDGPBFBEZ-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCc2ccccc2N1[S](=O)(=O)c3ccc(C=O)cc3 |
| SMILES | CACTVS | 3.385 | C[CH]1CCc2ccccc2N1[S](=O)(=O)c3ccc(C=O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C=O |
