A1H5J
Summary
| Name: | ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-ethylsulfonyl-indole-5-carboxamide |
| Formula: | C22 H22 F3 N3 O5 S2 |
| Formal charge: | 0 |
| Formula weight: | 529.552 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-ethylsulfonyl-indole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H22F3N3O5S2/c1-2-34(30,31)28-10-9-14-11-15(4-8-20(14)28)21(29)26-13-16-3-5-17(12-19(16)22(23,24)25)27-35(32,33)18-6-7-18/h3-5,8-12,18,27H,2,6-7,13H2,1H3,(H,26,29) |
| InChIKey | InChI | 1.06 | VXKRJNXILRHMQS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)n1ccc2cc(ccc12)C(=O)NCc3ccc(N[S](=O)(=O)C4CC4)cc3C(F)(F)F |
| SMILES | CACTVS | 3.385 | CC[S](=O)(=O)n1ccc2cc(ccc12)C(=O)NCc3ccc(N[S](=O)(=O)C4CC4)cc3C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)n1ccc2c1ccc(c2)C(=O)NCc3ccc(cc3C(F)(F)F)NS(=O)(=O)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)n1ccc2c1ccc(c2)C(=O)NCc3ccc(cc3C(F)(F)F)NS(=O)(=O)C4CC4 |
