CHEBI:105449 - [9-(4-ethoxyphenyl)sulfonyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [9-(4-ethoxyphenyl)sulfonyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone
ChEBI ID CHEBI:105449
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H23NO6S
Net Charge 0
Average Mass 489.542
Monoisotopic Mass 489.12461
InChI InChI=1S/C27H23NO6S/c1-3-32-19-8-10-20(11-9-19)35(30,31)27-21-14-24-25(34-13-12-33-24)15-23(21)28-16-22(27)26(29)18-6-4-17(2)5-7-18/h4-11,14-16H,3,12-13H2,1-2H3
InChIKey VBBFZDWBIVMUNA-UHFFFAOYSA-N
SMILES CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(C=NC3=CC4=C(C=C32)OCCO4)C(=O)C5=CC=C(C=C5)C
ChEBI Ontology
Outgoing [9-(4-ethoxyphenyl)sulfonyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone (CHEBI:105449) is a aromatic ketone (CHEBI:76224)
[9-(4-ethoxyphenyl)sulfonyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanone (CHEBI:105449) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-16812 LINCS
View more database links