KTI
Summary
| Name: | (E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide |
| Synonyms: | (E)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfonyl]-N-(6-methoxypyridin-2-yl)prop-2-enamide (reacted form of) |
| Formula: | C16 H14 Cl2 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 401.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-~{N}-(5-methoxypyridin-2-yl)prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | 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 | InChI | 1.06 | BHUCHFWWYNHHHM-ZSOIEALJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(NC(=O)\C=C(Cl)/[S](=O)(=O)Cc2ccccc2Cl)nc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(NC(=O)C=C(Cl)[S](=O)(=O)Cc2ccccc2Cl)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(nc1)NC(=O)/C=C(\S(=O)(=O)Cc2ccccc2Cl)/Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(nc1)NC(=O)C=C(S(=O)(=O)Cc2ccccc2Cl)Cl |
