CHEBI:100890 - (2S,3R,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile

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ChEBI Name (2S,3R,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
ChEBI ID CHEBI:100890
Stars This entity has been manually annotated by a third party.
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Formula C17H15FN2O3S
Net Charge 0
Average Mass 346.378
Monoisotopic Mass 346.07874
InChI InChI=1S/C17H15FN2O3S/c18-13-6-8-14(9-7-13)24(22,23)20-15(10-19)17(16(20)11-21)12-4-2-1-3-5-12/h1-9,15-17,21H,11H2/t15-,16-,17-/m1/s1
InChIKey LIAUQGYQVCFFMZ-BRWVUGGUSA-N
SMILES C1=CC=C(C=C1)[C@H]2[C@H](N([C@@H]2C#N)S(=O)(=O)C3=CC=C(C=C3)F)CO
ChEBI Ontology
Outgoing (2S,3R,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:100890) is a azetidines (CHEBI:38777)
(2S,3R,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:100890) is a benzenes (CHEBI:22712)
(2S,3R,4S)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:100890) is a ring assembly (CHEBI:36820)
Manual Xref Database
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