(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:131042)

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ChEBI Name	(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one

ChEBI ID	CHEBI:131042

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

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Formula

C14H17BrN2O4S

Net Charge

Average Mass

389.266

Monoisotopic Mass

388.00924

InChI

InChI=1S/C14H17BrN2O4S/c1-22(20,21)16-6-11-14(9-2-4-10(15)5-3-9)12(8-18)17(11)13(19)7-16/h2-5,11-12,14,18H,6-8H2,1H3/t11-,12+,14-/m1/s1

InChIKey

CWJBQADCDQSGJH-MBNYWOFBSA-N

SMILES

CS(=O)(=O)N1C[C@@H]2[C@H]([C@@H](N2C(=O)C1)CO)C3=CC=C(C=C3)Br

ChEBI Ontology
Outgoing	(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:131042) is a azetidines (CHEBI:38777) (6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:131042) is a benzenes (CHEBI:22712) (6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:131042) is a ring assembly (CHEBI:36820)