CHEBI:109067 - 1,4-bis[(4-methoxy-2-methylphenyl)sulfonyl]-1,4-diazepane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,4-bis[(4-methoxy-2-methylphenyl)sulfonyl]-1,4-diazepane
ChEBI ID CHEBI:109067
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H28N2O6S2
Net Charge 0
Average Mass 468.590
Monoisotopic Mass 468.13888
InChI InChI=1S/C21H28N2O6S2/c1-16-14-18(28-3)6-8-20(16)30(24,25)22-10-5-11-23(13-12-22)31(26,27)21-9-7-19(29-4)15-17(21)2/h6-9,14-15H,5,10-13H2,1-4H3
InChIKey RTJDFEULLVVMTR-UHFFFAOYSA-N
SMILES CC1=C(C=CC(=C1)OC)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)OC)C
ChEBI Ontology
Outgoing 1,4-bis[(4-methoxy-2-methylphenyl)sulfonyl]-1,4-diazepane (CHEBI:109067) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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