7-Cyclohexyl-2,5-dimethyl-2-(4-methylphenyl)-6,7-thiazabicyclo[3.2.1]octane 6,6-dioxide

SpectraBase Compound ID	FCwizwnTUoV
InChI	InChI=1S/C21H31NO2S/c1-16-9-11-17(12-10-16)21(3)14-13-20(2)15-19(21)22(25(20,23)24)18-7-5-4-6-8-18/h9-12,18-19H,4-8,13-15H2,1-3H3/t19-,20-,21-/m1/s1
InChIKey	LEWBQHDOPMRNIY-NJDAHSKKSA-N Google Search
Mol Weight	361.54 g/mol
Molecular Formula	C21H31NO2S
Exact Mass	361.20755 g/mol

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SpectraBase Spectrum ID	EsolpCq6iZR
Name	7-Cyclohexyl-2,5-dimethyl-2-(4-methylphenyl)-6,7-thiazabicyclo[3.2.1]octane 6,6-dioxide
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H31NO2S
InChI	InChI=1S/C21H31NO2S/c1-16-9-11-17(12-10-16)21(3)14-13-20(2)15-19(21)22(25(20,23)24)18-7-5-4-6-8-18/h9-12,18-19H,4-8,13-15H2,1-3H3/t19-,20-,21-/m1/s1
InChIKey	LEWBQHDOPMRNIY-NJDAHSKKSA-N
Molecular Weight	361.544 g/mol
SMILES	[C@]12(N(S([C@](CC[C@@]2(c2ccc(cc2)C)C)(C1)C)(=O)=O)C1CCCCC1)[H]
SPLASH	splash10-001i-0901000000-7e8001ce51ed82adcab5
Source of Spectrum	F-54-8970-16
Synonyms	(1R,2R,5R*)-7-Cyclohexyl-2,5-dimethyl-2-(4-methylphenyl)-6,7-thiazabicyclo[3.2.1]octane 6,6-dioxide 7-cyclohexyl-2,5-dimethyl-2-(4-methylphenyl)-6-thia-7-azabicyclo[3.2.1]octane 6,6-dioxide
Wiley ID	808169