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

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count38
Aromatic Bond Count12
2D diagram of UGE

Chemical Component Summary

Name4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde
Systematic Name (OpenEye OEToolkits)4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde
FormulaC16 H15 N O3 S
Molecular Weight301.36
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O
Canonical SMILESCACTVS3.385 O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O
InChIInChI1.03 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
InChIKeyInChI1.03 DGDWAMQMUQVWBK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 155923730