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N-[(3S,4S,5R,6S)-4-Hydroxy-5-methoxy-6-methyl-1-(phenylsulfonyl)piperidinyl]-N-methylbenzamide
SpectraBase Compound ID AjqBzxKoW3f
InChI InChI=1S/C21H26N2O5S/c1-15-20(28-3)18(24)14-19(22(2)21(25)16-10-6-4-7-11-16)23(15)29(26,27)17-12-8-5-9-13-17/h4-13,15,18-20,24H,14H2,1-3H3/t15-,18-,19?,20+/m0/s1
InChIKey VHLIWRSPIARNBE-WTCNEQCOSA-N
Mol Weight 418.51 g/mol
Molecular Formula C21H26N2O5S
Exact Mass 418.156243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rm26ds9Bee
Name N-[(3S,4S,5R,6S)-4-Hydroxy-5-methoxy-6-methyl-1-(phenylsulfonyl)piperidinyl]-N-methylbenzamide
Alternate Name(s) N-[(4S,5R,6S)-4-hydroxy-5-methoxy-6-methyl-1-(phenylsulfonyl)piperidinyl]-N-methylbenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O5S
InChI InChI=1S/C21H26N2O5S/c1-15-20(28-3)18(24)14-19(22(2)21(25)16-10-6-4-7-11-16)23(15)29(26,27)17-12-8-5-9-13-17/h4-13,15,18-20,24H,14H2,1-3H3/t15-,18-,19?,20+/m0/s1
InChIKey VHLIWRSPIARNBE-WTCNEQCOSA-N
Molecular Weight 418.508 g/mol
SMILES O[C@@]1([C@@]([C@@](N(S(=O)(=O)c2ccccc2)C(N(C(=O)c2ccccc2)C)C1)(C)[H])(OC)[H])[H]
SPLASH splash10-0ufr-9800000000-b8cb74d91c87c57e1c7d
Source of Spectrum J-67-3192-10
Wiley ID 1569750