(6S,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125718)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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

ChEBI ID	CHEBI:125718

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

Supplier Information

Download	Molfile XML SDF

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-BZPMIXESSA-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,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125718) is a azetidines (CHEBI:38777) (6S,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125718) is a benzenes (CHEBI:22712) (6S,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one (CHEBI:125718) is a ring assembly (CHEBI:36820)