Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3N(CCCNC(=O)c1ccc(cc1)S(=O)(F)=O)c2nc(nc2C(N3CCC)=O)C4CCCCC4 |
InChI | InChI | 1.03 | InChI=1S/C24H30FN5O5S/c1-2-14-30-23(32)19-21(28-20(27-19)16-7-4-3-5-8-16)29(24(30)33)15-6-13-26-22(31)17-9-11-18(12-10-17)36(25,34)35/h9-12,16H,2-8,13-15H2,1H3,(H,26,31)(H,27,28) |
InChIKey | InChI | 1.03 | KAJVJPLKXGLLDA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCN1C(=O)N(CCCNC(=O)c2ccc(cc2)[S](F)(=O)=O)c3nc([nH]c3C1=O)C4CCCCC4 |
SMILES | CACTVS | 3.385 | CCCN1C(=O)N(CCCNC(=O)c2ccc(cc2)[S](F)(=O)=O)c3nc([nH]c3C1=O)C4CCCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCN1C(=O)c2c(nc([nH]2)C3CCCCC3)N(C1=O)CCCNC(=O)c4ccc(cc4)S(=O)(=O)F |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCN1C(=O)c2c(nc([nH]2)C3CCCCC3)N(C1=O)CCCNC(=O)c4ccc(cc4)S(=O)(=O)F |