UGE
4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde
Created: | 2021-02-16 |
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-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde |
Systematic Name (OpenEye OEToolkits) | 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde |
Formula | C16 H15 N O3 S |
Molecular Weight | 301.36 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O |
Canonical SMILES | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O |
InChI | InChI | 1.03 | InChI=1S/C16H15NO3S/c18-12-13-7-9-15(10-8-13)21(19,20)17-11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10,12H,3,5,11H2 |
InChIKey | InChI | 1.03 | DGDWAMQMUQVWBK-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 155923730 |