Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccccc1)Nc2ccc3c(c2C(=O)O)CCCC3 |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1c2CCCCc2ccc1N[S](=O)(=O)c3ccccc3 |
SMILES | CACTVS | 3.341 | OC(=O)c1c2CCCCc2ccc1N[S](=O)(=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3 |
InChI | InChI | 1.03 | InChI=1S/C17H17NO4S/c19-17(20)16-14-9-5-4-6-12(14)10-11-15(16)18-23(21,22)13-7-2-1-3-8-13/h1-3,7-8,10-11,18H,4-6,9H2,(H,19,20) |
InChIKey | InChI | 1.03 | RRXVUYHFDBLTEL-UHFFFAOYSA-N |