Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FCCn1cc(nn1)c1ccc2C(=O)N(C)C=C(c3cc(ccc3OC)S(C)(=O)=O)c2c1 |
InChI | InChI | 1.06 | InChI=1S/C22H21FN4O4S/c1-26-12-19(18-11-15(32(3,29)30)5-7-21(18)31-2)17-10-14(4-6-16(17)22(26)28)20-13-27(9-8-23)25-24-20/h4-7,10-13H,8-9H2,1-3H3 |
InChIKey | InChI | 1.06 | UPJSJOPWDGOEFC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1C2=CN(C)C(=O)c3ccc(cc23)c4cn(CCF)nn4)[S](C)(=O)=O |
SMILES | CACTVS | 3.385 | COc1ccc(cc1C2=CN(C)C(=O)c3ccc(cc23)c4cn(CCF)nn4)[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C=C(c2cc(ccc2C1=O)c3cn(nn3)CCF)c4cc(ccc4OC)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C=C(c2cc(ccc2C1=O)c3cn(nn3)CCF)c4cc(ccc4OC)S(=O)(=O)C |