Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ccc(cc1)[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O |
InChI | InChI | 1.03 | InChI=1S/C17H16N2O4S/c1-12(20)16(11-13-5-3-2-4-6-13)17(21)19-14-7-9-15(10-8-14)24(18,22)23/h2-11H,1H3,(H,19,21)(H2,18,22,23)/b16-11- |
InChIKey | InChI | 1.03 | NDDZSPLPKNIELX-WJDWOHSUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)\C(=C\c1ccccc1)C(=O)Nc2ccc(cc2)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | CC(=O)C(=Cc1ccccc1)C(=O)Nc2ccc(cc2)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)C(=Cc1ccccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N |