5IV
Summary
| Name: | ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide |
| Formula: | C27 H23 F4 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 545.548 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C27H23F4N3O3S/c28-21-3-1-2-17(12-21)16-34-11-10-18-13-19(5-9-25(18)34)26(35)32-15-20-4-6-22(14-24(20)27(29,30)31)33-38(36,37)23-7-8-23/h1-6,9-14,23,33H,7-8,15-16H2,(H,32,35) |
| InChIKey | InChI | 1.03 | NONHTXRHOREFAH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(Cn2ccc3cc(ccc23)C(=O)NCc4ccc(N[S](=O)(=O)C5CC5)cc4C(F)(F)F)c1 |
| SMILES | CACTVS | 3.385 | Fc1cccc(Cn2ccc3cc(ccc23)C(=O)NCc4ccc(N[S](=O)(=O)C5CC5)cc4C(F)(F)F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)Cn2ccc3c2ccc(c3)C(=O)NCc4ccc(cc4C(F)(F)F)NS(=O)(=O)C5CC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)F)Cn2ccc3c2ccc(c3)C(=O)NCc4ccc(cc4C(F)(F)F)NS(=O)(=O)C5CC5 |
