L28
N~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxamide
| Created: | 2015-08-05 |
| Last modified: | 2016-01-20 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 55 |
| Chiral Atom Count | 0 |
| Bond Count | 56 |
| Aromatic Bond Count | 11 |
Chemical Component Summary | |
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| Name | N~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxamide |
| Systematic Name (OpenEye OEToolkits) | N2-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxamide |
| Formula | C19 H26 N4 O5 S |
| Molecular Weight | 422.499 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(cc(c1O)NC(c2c(c(C(N)=O)c(C)n2)CC)=O)S(N(CC)CC)(=O)=O |
| SMILES | CACTVS | 3.385 | CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)c1 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)N |
| Canonical SMILES | CACTVS | 3.385 | CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c(C(N)=O)c2CC)c1 |
| Canonical SMILES | OpenEye OEToolkits | 1.9.2 | CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C19H26N4O5S/c1-5-13-16(18(20)25)11(4)21-17(13)19(26)22-14-10-12(8-9-15(14)24)29(27,28)23(6-2)7-3/h8-10,21,24H,5-7H2,1-4H3,(H2,20,25)(H,22,26) |
| InChIKey | InChI | 1.03 | BXFSSYQFFSWQEA-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL3785713 |
| PubChem | 112499908 |
| ChEMBL | CHEMBL3785713 |
