QF1
5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide
Created: | 2019-10-21 |
Last modified: | 2020-04-15 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 44 |
Chiral Atom Count | 0 |
Bond Count | 46 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 5-bromo-3-chloro-N-[1-cyclopentyl-2-(methylsulfonyl)-1H-imidazol-4-yl]-2-hydroxybenzene-1-sulfonamide |
Systematic Name (OpenEye OEToolkits) | 5-bromanyl-3-chloranyl-~{N}-(1-cyclopentyl-2-methylsulfonyl-imidazol-4-yl)-2-oxidanyl-benzenesulfonamide |
Formula | C15 H17 Br Cl N3 O5 S2 |
Molecular Weight | 498.8 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CS(c2nc(cn2C1CCCC1)NS(c3cc(cc(c3O)Cl)Br)(=O)=O)(=O)=O |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br |
Canonical SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br |
InChI | InChI | 1.03 | InChI=1S/C15H17BrClN3O5S2/c1-26(22,23)15-18-13(8-20(15)10-4-2-3-5-10)19-27(24,25)12-7-9(16)6-11(17)14(12)21/h6-8,10,19,21H,2-5H2,1H3 |
InChIKey | InChI | 1.03 | ZBIVDOJYQHNICX-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 146019259 |