CHEBI:105671 - 2-[(4-cyanophenyl)methylthio]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(4-cyanophenyl)methylthio]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide
ChEBI ID CHEBI:105671
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H17N3O4S2
Net Charge 0
Average Mass 451.521
Monoisotopic Mass 451.06605
InChI InChI=1S/C22H17N3O4S2/c1-28-20-5-3-2-4-18(20)25-31(26,27)17-10-11-21-19(12-17)24-22(29-21)30-14-16-8-6-15(13-23)7-9-16/h2-12,25H,14H2,1H3
InChIKey WHTITULTEDXNBO-UHFFFAOYSA-N
SMILES COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC4=CC=C(C=C4)C#N
ChEBI Ontology
Outgoing 2-[(4-cyanophenyl)methylthio]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide (CHEBI:105671) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-17034 LINCS
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