(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile (CHEBI:101585)

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ChEBI Name	(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile

ChEBI ID	CHEBI:101585

Stars	This entity has been manually annotated by a third party.

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Formula

C18H18N2O3S

Net Charge

Average Mass

342.414

Monoisotopic Mass

342.10381

InChI

InChI=1S/C18H18N2O3S/c19-11-16-18(15-9-5-2-6-10-15)17(12-21)20(16)24(22,23)13-14-7-3-1-4-8-14/h1-10,16-18,21H,12-13H2/t16-,17-,18-/m1/s1

InChIKey

SEDZELNMUHOWSZ-KZNAEPCWSA-N

SMILES

C1=CC=C(C=C1)CS(=O)(=O)N2[C@@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO

ChEBI Ontology
Outgoing	(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile (CHEBI:101585) is a azetidines (CHEBI:38777) (2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile (CHEBI:101585) is a benzenes (CHEBI:22712) (2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile (CHEBI:101585) is a ring assembly (CHEBI:36820)