| PDB CCD ID: | TVB |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H17 N O3 S |
| InChI: | 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: | RSNAWSDGPBFBEZ-CYBMUJFWSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C=O | | OpenEye OEToolkits 2.0.7 | C[C@@H]1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C=O | | CACTVS 3.385 | C[C@@H]1CCc2ccccc2N1[S](=O)(=O)c3ccc(C=O)cc3 | | CACTVS 3.385 | C[CH]1CCc2ccccc2N1[S](=O)(=O)c3ccc(C=O)cc3 |
|
| Name: | 4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde |
umich.edu