Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H23NO5S/c1-4-15-7-6-8-16(5-2)21(15)23-29(26,27)20-10-9-17(11-14(20)3)19-12-18(13-28-19)22(24)25/h6-13,23H,4-5H2,1-3H3,(H,24,25) |
InChIKey | InChI | 1.03 | SECRWZHINJOGSU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1cccc(CC)c1N[S](=O)(=O)c2ccc(cc2C)c3occ(c3)C(O)=O |
SMILES | CACTVS | 3.385 | CCc1cccc(CC)c1N[S](=O)(=O)c2ccc(cc2C)c3occ(c3)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1cccc(c1NS(=O)(=O)c2ccc(cc2C)c3cc(co3)C(=O)O)CC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCc1cccc(c1NS(=O)(=O)c2ccc(cc2C)c3cc(co3)C(=O)O)CC |