CHEBI:102569 - 4-[4-[(2R,3R,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide

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ChEBI Name 4-[4-[(2R,3R,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
ChEBI ID CHEBI:102569
Stars This entity has been manually annotated by a third party.
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Formula C21H23N3O4S
Net Charge 0
Average Mass 413.492
Monoisotopic Mass 413.14093
InChI InChI=1S/C21H23N3O4S/c1-23(2)21(26)17-10-6-15(7-11-17)14-4-8-16(9-5-14)20-18(12-22)24(19(20)13-25)29(3,27)28/h4-11,18-20,25H,13H2,1-3H3/t18-,19-,20+/m0/s1
InChIKey DINYZOMRIFESDL-SLFFLAALSA-N
SMILES CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[C@H]3[C@@H](N([C@H]3C#N)S(=O)(=O)C)CO
ChEBI Ontology
Outgoing 4-[4-[(2R,3R,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide (CHEBI:102569) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-13916 LINCS
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