UVQ
4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
Created: | 2021-03-23 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 36 |
Chiral Atom Count | 0 |
Bond Count | 38 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
Systematic Name (OpenEye OEToolkits) | 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde |
Formula | C16 H14 F N O3 S |
Molecular Weight | 319.351 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F |
Canonical SMILES | CACTVS | 3.385 | Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F |
InChI | InChI | 1.03 | InChI=1S/C16H14FNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2 |
InChIKey | InChI | 1.03 | HFGLWYIDQNXWJN-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 155923743 |