LSM-12538 (CHEBI:101169)

CHEBI:101169 - LSM-12538

Formula	C20H19FN2O3S
Net Charge	0
Average Mass	386.448
Monoisotopic Mass	386.11004
SMILES	CC=Cc1ccc([C@@H]2[C@@H](C#N)N(S(=O)(=O)c3cccc(F)c3)[C@@H]2CO)cc1
InChI	InChI=1S/C20H19FN2O3S/c1-2-4-14-7-9-15(10-8-14)20-18(12-22)23(19(20)13-24)27(25,26)17-6-3-5-16(21)11-17/h2-11,18-20,24H,13H2,1H3/t18-,19-,20-/m1/s1
InChIKey	CRECGCTYSBAAAJ-VAMGGRTRSA-N

ChEBI Ontology

Outgoing Relation(s)
	LSM-12538 (CHEBI:101169) is a azetidines (CHEBI:38777)
	LSM-12538 (CHEBI:101169) is a benzenes (CHEBI:22712)
	LSM-12538 (CHEBI:101169) is a ring assembly (CHEBI:36820)

Manual Xrefs	Databases
LSM-12538	LINCS