A1H5G
Summary
| Name: | ~{N}-[6-[3-[(2-methylpropylsulfonylamino)methyl]phenyl]-1~{H}-indazol-3-yl]cyclopropanecarboxamide |
| Formula: | C22 H26 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 426.532 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[6-[3-[(2-methylpropylsulfonylamino)methyl]phenyl]-1~{H}-indazol-3-yl]cyclopropanecarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H26N4O3S/c1-14(2)13-30(28,29)23-12-15-4-3-5-17(10-15)18-8-9-19-20(11-18)25-26-21(19)24-22(27)16-6-7-16/h3-5,8-11,14,16,23H,6-7,12-13H2,1-2H3,(H2,24,25,26,27) |
| InChIKey | InChI | 1.06 | IIKPYJZUOZRTIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[S](=O)(=O)NCc1cccc(c1)c2ccc3c([nH]nc3NC(=O)C4CC4)c2 |
| SMILES | CACTVS | 3.385 | CC(C)C[S](=O)(=O)NCc1cccc(c1)c2ccc3c([nH]nc3NC(=O)C4CC4)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CS(=O)(=O)NCc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CS(=O)(=O)NCc1cccc(c1)c2ccc3c(c2)[nH]nc3NC(=O)C4CC4 |
