E6O
5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide
| Created: | 2019-11-06 |
| Last modified: | 2020-11-04 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 53 |
| Chiral Atom Count | 2 |
| Bond Count | 56 |
| Aromatic Bond Count | 12 |
Chemical Component Summary | |
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| Name | 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide |
| Systematic Name (OpenEye OEToolkits) | 5-chloranyl-2-[[(1~{S},2~{R})-2-(2,3-dihydro-1~{H}-inden-4-yl)-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide |
| Formula | C21 H21 Cl N4 O5 S |
| Molecular Weight | 476.933 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | C[CH]([CH](N[S](=O)(=O)c1ccc(Cl)cc1C(N)=O)C2=NNC(=O)O2)c3cccc4CCCc34 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cccc2c1CCC2)C(C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4C(=O)N)Cl |
| Canonical SMILES | CACTVS | 3.385 | C[C@@H]([C@H](N[S](=O)(=O)c1ccc(Cl)cc1C(N)=O)C2=NNC(=O)O2)c3cccc4CCCc34 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C[C@H](c1cccc2c1CCC2)[C@@H](C3=NNC(=O)O3)NS(=O)(=O)c4ccc(cc4C(=O)N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C21H21ClN4O5S/c1-11(14-6-2-4-12-5-3-7-15(12)14)18(20-24-25-21(28)31-20)26-32(29,30)17-9-8-13(22)10-16(17)19(23)27/h2,4,6,8-11,18,26H,3,5,7H2,1H3,(H2,23,27)(H,25,28)/t11-,18+/m1/s1 |
| InChIKey | InChI | 1.03 | QYEZTBVHXSYEIR-ZMZPIMSZSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 154815510 |
