A1H5J
~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-ethylsulfonyl-indole-5-carboxamide
| Created: | 2024-02-29 |
| Last modified: | 2025-03-12 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 57 |
| Chiral Atom Count | 0 |
| Bond Count | 60 |
| Aromatic Bond Count | 16 |
Chemical Component Summary | |
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| Name | ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-ethylsulfonyl-indole-5-carboxamide |
| Systematic Name (OpenEye OEToolkits) | ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-ethylsulfonyl-indole-5-carboxamide |
| Formula | C22 H22 F3 N3 O5 S2 |
| Molecular Weight | 529.552 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | CC[S](=O)(=O)n1ccc2cc(ccc12)C(=O)NCc3ccc(N[S](=O)(=O)C4CC4)cc3C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)n1ccc2c1ccc(c2)C(=O)NCc3ccc(cc3C(F)(F)F)NS(=O)(=O)C4CC4 |
| Canonical SMILES | CACTVS | 3.385 | CC[S](=O)(=O)n1ccc2cc(ccc12)C(=O)NCc3ccc(N[S](=O)(=O)C4CC4)cc3C(F)(F)F |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)n1ccc2c1ccc(c2)C(=O)NCc3ccc(cc3C(F)(F)F)NS(=O)(=O)C4CC4 |
| 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 |
Related Resource References
| Resource Name | Reference |
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| PubChem | 172868974 |
