Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(cc1)NC(=O)CC=2c3c(OC(=O)C=2)cc(OC)cc3 |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2C(=CC(=O)Oc2c1)CC(=O)Nc3ccc(cc3)[S](N)(=O)=O |
SMILES | CACTVS | 3.370 | COc1ccc2C(=CC(=O)Oc2c1)CC(=O)Nc3ccc(cc3)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc2c(c1)OC(=O)C=C2CC(=O)Nc3ccc(cc3)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc2c(c1)OC(=O)C=C2CC(=O)Nc3ccc(cc3)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C18H16N2O6S/c1-25-13-4-7-15-11(9-18(22)26-16(15)10-13)8-17(21)20-12-2-5-14(6-3-12)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24) |
InChIKey | InChI | 1.03 | VZBSCWDKCMOJCR-UHFFFAOYSA-N |