| PDB CCD ID: | Q6A |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H18 N2 O5 S |
| InChI: | InChI=1S/C18H18N2O5S/c1-12(21)17(11-13-3-7-15(25-2)8-4-13)18(22)20-14-5-9-16(10-6-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)/b17-11- |
| InChIKey: | BNJYMFAWZKZPKJ-BOPFTXTBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(=O)/C(=C/c1ccc(cc1)OC)/C(=O)Nc2ccc(cc2)S(=O)(=O)N | | CACTVS 3.385 | COc1ccc(cc1)/C=C(/C(C)=O)C(=O)Nc2ccc(cc2)[S](N)(=O)=O | | CACTVS 3.385 | COc1ccc(cc1)C=C(C(C)=O)C(=O)Nc2ccc(cc2)[S](N)(=O)=O | | ACDLabs 12.01 | c1cc(ccc1[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O)OC | | OpenEye OEToolkits 2.0.7 | CC(=O)C(=Cc1ccc(cc1)OC)C(=O)Nc2ccc(cc2)S(=O)(=O)N |
|
| Name: | (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide |
umich.edu