| PDB CCD ID: | KTI |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H14 Cl2 N2 O4 S |
| InChI: | InChI=1S/C16H14Cl2N2O4S/c1-24-12-6-7-15(19-9-12)20-16(21)8-14(18)25(22,23)10-11-4-2-3-5-13(11)17/h2-9H,10H2,1H3,(H,19,20,21)/b14-8- |
| InChIKey: | BHUCHFWWYNHHHM-ZSOIEALJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | COc1ccc(nc1)NC(=O)/C=C(\S(=O)(=O)Cc2ccccc2Cl)/Cl | | CACTVS 3.385 | COc1ccc(NC(=O)\C=C(Cl)/[S](=O)(=O)Cc2ccccc2Cl)nc1 | | CACTVS 3.385 | COc1ccc(NC(=O)C=C(Cl)[S](=O)(=O)Cc2ccccc2Cl)nc1 | | OpenEye OEToolkits 2.0.7 | COc1ccc(nc1)NC(=O)C=C(S(=O)(=O)Cc2ccccc2Cl)Cl |
|
| Name: | (E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide;
(E)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfonyl]-N-(6-methoxypyridin-2-yl)prop-2-enamide (reacted form of) |
umich.edu