O9J
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide
Created: | 2019-06-19 |
Last modified: | 2020-04-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 43 |
Chiral Atom Count | 0 |
Bond Count | 45 |
Aromatic Bond Count | 18 |
Chemical Component Summary | |
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Name | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide |
Systematic Name (OpenEye OEToolkits) | 2-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)-5-pyridin-2-yl-benzohydrazide |
Formula | C19 H16 F N3 O3 S |
Molecular Weight | 385.412 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3ccnc(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)c3 |
SMILES | CACTVS | 3.385 | Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ccccn3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccn3 |
Canonical SMILES | CACTVS | 3.385 | Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ccccn3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccn3 |
InChI | InChI | 1.03 | InChI=1S/C19H16FN3O3S/c1-13-11-14(17-9-5-6-10-21-17)12-16(18(13)20)19(24)22-23-27(25,26)15-7-3-2-4-8-15/h2-12,23H,1H3,(H,22,24) |
InChIKey | InChI | 1.03 | MWANLGMUCLJUNG-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 134581398 |