MNJ
4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
Created: | 2019-04-10 |
Last modified: | 2019-07-03 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 41 |
Chiral Atom Count | 0 |
Bond Count | 43 |
Aromatic Bond Count | 18 |
Chemical Component Summary | |
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Name | 4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide |
Systematic Name (OpenEye OEToolkits) | 2-fluoranyl-5-phenyl-~{N}'-(phenylsulfonyl)benzohydrazide |
Formula | C19 H15 F N2 O3 S |
Molecular Weight | 370.397 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(cccc1)c2ccc(F)c(c2)C(NNS(=O)(c3ccccc3)=O)=O |
SMILES | CACTVS | 3.385 | Fc1ccc(cc1C(=O)NN[S](=O)(=O)c2ccccc2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F |
Canonical SMILES | CACTVS | 3.385 | Fc1ccc(cc1C(=O)NN[S](=O)(=O)c2ccccc2)c3ccccc3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F |
InChI | InChI | 1.03 | InChI=1S/C19H15FN2O3S/c20-18-12-11-15(14-7-3-1-4-8-14)13-17(18)19(23)21-22-26(24,25)16-9-5-2-6-10-16/h1-13,22H,(H,21,23) |
InChIKey | InChI | 1.03 | MRSZFKKARPPDOC-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 134581360 |