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CHEBI:121137 - 1-(4-methylphenyl)sulfonyl-4-(2-naphthalenylsulfonyl)-1,4-diazepane

ChEBI IDCHEBI:121137
ChEBI Name1-(4-methylphenyl)sulfonyl-4-(2-naphthalenylsulfonyl)-1,4-diazepane
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DownloadsMolfile
FormulaC22H24N2O4S2
Net Charge0
Average Mass444.578
Monoisotopic Mass444.11775
SMILESCc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C22H24N2O4S2/c1-18-7-10-21(11-8-18)29(25,26)23-13-4-14-24(16-15-23)30(27,28)22-12-9-19-5-2-3-6-20(19)17-22/h2-3,5-12,17H,4,13-16H2,1H3
InChIKeyMCSWAMRQUGVYPC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-methylphenyl)sulfonyl-4-(2-naphthalenylsulfonyl)-1,4-diazepane (CHEBI:121137) is a naphthalenes (CHEBI:25477)
1-(4-methylphenyl)sulfonyl-4-(2-naphthalenylsulfonyl)-1,4-diazepane (CHEBI:121137) is a sulfonic acid derivative (CHEBI:33552)
Manual XrefsDatabases
LSM-32580LINCS