UST

4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde

Created: 2021-03-15
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count0
Bond Count35
Aromatic Bond Count12
2D diagram of UST

Chemical Component Summary

Name4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde
Systematic Name (OpenEye OEToolkits)4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde
FormulaC15 H13 N O3 S
Molecular Weight287.334
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O=Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc23
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C=O
Canonical SMILESCACTVS3.385 O=Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc23
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C=O
InChIInChI1.03 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
InChIKeyInChI1.03 FSHRLRMRVJPKFZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 86006577