MEY
N-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide
Created: | 2010-09-21 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 52 |
Chiral Atom Count | 0 |
Bond Count | 56 |
Aromatic Bond Count | 23 |
Chemical Component Summary | |
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Name | N-{[1-(5-chloro-2,4-dihydroxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]methyl}naphthalene-1-sulfonamide |
Systematic Name (OpenEye OEToolkits) | N-[[1-(5-chloro-2,4-dihydroxy-phenyl)-2-oxo-3H-benzimidazol-5-yl]methyl]naphthalene-1-sulfonamide |
Formula | C24 H18 Cl N3 O5 S |
Molecular Weight | 495.935 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c2c1ccccc1ccc2)NCc3cc4c(cc3)N(C(=O)N4)c5cc(Cl)c(O)cc5O |
SMILES | CACTVS | 3.370 | Oc1cc(O)c(cc1Cl)N2C(=O)Nc3cc(CN[S](=O)(=O)c4cccc5ccccc45)ccc23 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl |
Canonical SMILES | CACTVS | 3.370 | Oc1cc(O)c(cc1Cl)N2C(=O)Nc3cc(CN[S](=O)(=O)c4cccc5ccccc45)ccc23 |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C24H18ClN3O5S/c25-17-11-20(22(30)12-21(17)29)28-19-9-8-14(10-18(19)27-24(28)31)13-26-34(32,33)23-7-3-5-15-4-1-2-6-16(15)23/h1-12,26,29-30H,13H2,(H,27,31) |
InChIKey | InChI | 1.03 | VUQDPFXQYOUHGL-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL1801578 |
PubChem | 50925477 |
ChEMBL | CHEMBL1801578 |