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CHEBI:101460 - 4-[4-[(2S,3S,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide

ChEBI IDCHEBI:101460
ChEBI Name4-[4-[(2S,3S,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
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FormulaC21H23N3O4S
Net Charge0
Average Mass413.499
Monoisotopic Mass413.14093
SMILESCN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](C#N)N(S(C)(=O)=O)[C@H]3CO)cc2)cc1
InChIInChI=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+/m1/s1
InChIKeyDINYZOMRIFESDL-AABGKKOBSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(2S,3S,4R)-2-cyano-4-(hydroxymethyl)-1-methylsulfonyl-3-azetidinyl]phenyl]-N,N-dimethylbenzamide (CHEBI:101460) is a biphenyls (CHEBI:22888)
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