Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CN(CCN1C(Cc2ccc(F)cc2)=O)S(c4c3ccncc3ccc4)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C21H20FN3O3S/c22-18-6-4-16(5-7-18)14-21(26)24-10-12-25(13-11-24)29(27,28)20-3-1-2-17-15-23-9-8-19(17)20/h1-9,15H,10-14H2 |
InChIKey | InChI | 1.03 | MVUOZWVYTYXUCV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(CC(=O)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34)cc1 |
SMILES | CACTVS | 3.385 | Fc1ccc(CC(=O)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Cc4ccc(cc4)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Cc4ccc(cc4)F |