CHEBI:107971 - 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone
ChEBI ID CHEBI:107971
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H24N2O5S
Net Charge 0
Average Mass 416.493
Monoisotopic Mass 416.14059
InChI InChI=1S/C21H24N2O5S/c1-15-7-8-17(13-16(15)2)29(25,26)23-11-9-22(10-12-23)21(24)20-14-27-18-5-3-4-6-19(18)28-20/h3-8,13,20H,9-12,14H2,1-2H3
InChIKey WPCWVOQEDYIZGS-UHFFFAOYSA-N
SMILES CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C
ChEBI Ontology
Outgoing 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone (CHEBI:107971) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-19348 LINCS
View more database links