Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H16F2N2O3S/c19-18(20)7-9-22(10-8-18)17(23)21-12-5-6-16-14(11-12)13-3-1-2-4-15(13)26(16,24)25/h1-6,11H,7-10H2,(H,21,23) |
InChIKey | InChI | 1.03 | CHISZLOVTPVOGH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC1(F)CCN(CC1)C(=O)Nc2ccc3c(c2)c4ccccc4[S]3(=O)=O |
SMILES | CACTVS | 3.385 | FC1(F)CCN(CC1)C(=O)Nc2ccc3c(c2)c4ccccc4[S]3(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F |