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CHEBI:98555 - (2S,3S,4R)-1-(benzenesulfonyl)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile

ChEBI IDCHEBI:98555
ChEBI Name(2S,3S,4R)-1-(benzenesulfonyl)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
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FormulaC23H24N2O3S
Net Charge0
Average Mass408.523
Monoisotopic Mass408.15076
SMILESN#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H24N2O3S/c24-15-21-23(19-13-11-18(12-14-19)17-7-3-1-4-8-17)22(16-26)25(21)29(27,28)20-9-5-2-6-10-20/h2,5-7,9-14,21-23,26H,1,3-4,8,16H2/t21-,22+,23+/m1/s1
InChIKeyPOAXSVANNSAIAV-VJBWXMMDSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4R)-1-(benzenesulfonyl)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile (CHEBI:98555) is a azetidines (CHEBI:38777)
(2S,3S,4R)-1-(benzenesulfonyl)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile (CHEBI:98555) is a benzenes (CHEBI:22712)
(2S,3S,4R)-1-(benzenesulfonyl)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile (CHEBI:98555) is a ring assembly (CHEBI:36820)
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