CHEBI:116897 - 2-[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-6-chloro-1H-benzimidazole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-6-chloro-1H-benzimidazole
ChEBI ID CHEBI:116897
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H26ClN3O2S
Net Charge 0
Average Mass 431.981
Monoisotopic Mass 431.14343
InChI InChI=1S/C22H26ClN3O2S/c1-22(2,3)16-4-7-18(8-5-16)29(27,28)26-12-10-15(11-13-26)21-24-19-9-6-17(23)14-20(19)25-21/h4-9,14-15H,10-13H2,1-3H3,(H,24,25)
InChIKey GNZOGHIBRLASHC-UHFFFAOYSA-N
SMILES CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(N3)C=C(C=C4)Cl
ChEBI Ontology
Outgoing 2-[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-6-chloro-1H-benzimidazole (CHEBI:116897) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-28348 LINCS
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