UST
4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde
Created: | 2021-03-15 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 33 |
Chiral Atom Count | 0 |
Bond Count | 35 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde |
Systematic Name (OpenEye OEToolkits) | 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde |
Formula | C15 H13 N O3 S |
Molecular Weight | 287.334 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc23 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C=O |
Canonical SMILES | CACTVS | 3.385 | O=Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc23 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C=O |
InChI | InChI | 1.03 | InChI=1S/C15H13NO3S/c17-11-12-5-7-14(8-6-12)20(18,19)16-10-9-13-3-1-2-4-15(13)16/h1-8,11H,9-10H2 |
InChIKey | InChI | 1.03 | FSHRLRMRVJPKFZ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 86006577 |