Q8P
4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide
| Created: | 2019-10-03 |
| Last modified: | 2020-04-15 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 45 |
| Chiral Atom Count | 0 |
| Bond Count | 47 |
| Aromatic Bond Count | 11 |
Chemical Component Summary | |
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| Name | 4-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-1-cyclopentyl-N-methyl-1H-imidazole-2-carboxamide |
| Systematic Name (OpenEye OEToolkits) | 4-[(5-bromanyl-3-chloranyl-2-oxidanyl-phenyl)sulfonylamino]-1-cyclopentyl-~{N}-methyl-imidazole-2-carboxamide |
| Formula | C16 H18 Br Cl N4 O4 S |
| Molecular Weight | 477.761 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3C(NC)=O |
| SMILES | CACTVS | 3.385 | CNC(=O)c1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br |
| Canonical SMILES | CACTVS | 3.385 | CNC(=O)c1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br |
| InChI | InChI | 1.03 | InChI=1S/C16H18BrClN4O4S/c1-19-16(24)15-20-13(8-22(15)10-4-2-3-5-10)21-27(25,26)12-7-9(17)6-11(18)14(12)23/h6-8,10,21,23H,2-5H2,1H3,(H,19,24) |
| InChIKey | InChI | 1.03 | KXQTXSQWNIVQDX-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
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| PubChem | 146019256 |
