Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc3ncc(c1cc2c(cc1)CC(NS(=O)(=O)C(C)C)C2)cc3 |
SMILES_CANONICAL | CACTVS | 3.352 | CC(C)[S](=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(F)nc3 |
SMILES | CACTVS | 3.352 | CC(C)[S](=O)(=O)N[CH]1Cc2ccc(cc2C1)c3ccc(F)nc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(nc3)F |
SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)c3ccc(nc3)F |
InChI | InChI | 1.03 | InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1 |
InChIKey | InChI | 1.03 | QXQSUBKWSHMXDP-INIZCTEOSA-N |