O9P
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]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 | 42 |
Chiral Atom Count | 0 |
Bond Count | 43 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide |
Systematic Name (OpenEye OEToolkits) | 2-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)-5-prop-2-enoxy-benzohydrazide |
Formula | C17 H17 F N2 O4 S |
Molecular Weight | 364.391 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [C@H](=C)COc2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F |
SMILES | CACTVS | 3.385 | Cc1cc(OCC=C)cc(c1F)C(=O)NN[S](=O)(=O)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OCC=C |
Canonical SMILES | CACTVS | 3.385 | Cc1cc(OCC=C)cc(c1F)C(=O)NN[S](=O)(=O)c2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OCC=C |
InChI | InChI | 1.03 | InChI=1S/C17H17FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h3-8,10-11,20H,1,9H2,2H3,(H,19,21) |
InChIKey | InChI | 1.03 | FEYQZXJYMGGAIM-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 124132195 |