N-[(1S,2R,3R,3aS,6aR)-2-Hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}decahydroazulen-1-yl]-2-methylpropane-2-sulfonamide

SpectraBase Compound ID	Iqsbb4wXJo0
InChI	InChI=1S/C21H34N2O4S2/c1-21(2,3)29(26,27)23-18-16-13-9-6-10-14-17(16)20(19(18)24)28(25,22-4)15-11-7-5-8-12-15/h5,7-8,11-12,16-20,23-24H,6,9-10,13-14H2,1-4H3/t16-,17+,18+,19-,20-,28-/m1/s1
InChIKey	CIJPAAZDTJIEKF-SFKJIYBCSA-N Google Search
Mol Weight	442.6 g/mol
Molecular Formula	C21H34N2O4S2
Exact Mass	442.196 g/mol

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SpectraBase Spectrum ID	1CcJinAMc7l
Name	N-[(1S,2R,3R,3aS,6aR)-2-Hydroxy-3-{(S)-N-methylphenylsulfonimidoyl}decahydroazulen-1-yl]-2-methylpropane-2-sulfonamide
Alternate Name(s)	N-[(1S,2R,3R,3aS,8aR)-2-hydroxy-3-(N-methyl-S-phenylsulfonimidoyl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-1-yl]-2-methyl-2-propanesulfonamide N-[(1S,2R,3R,3aS,8aR)-2-hydroxy-3-(N-methyl-S-phenylsulfonimidoyl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-1-yl]-2-methylpropane-2-sulfonamide N-[(1S,2R,3R,3aS,8aR)-3-(N-methyl-S-phenyl-sulfonimidoyl)-2-oxidanyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-1-yl]-2-methyl-propane-2-sulfonamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H34N2O4S2
InChI	InChI=1S/C21H34N2O4S2/c1-21(2,3)29(26,27)23-18-16-13-9-6-10-14-17(16)20(19(18)24)28(25,22-4)15-11-7-5-8-12-15/h5,7-8,11-12,16-20,23-24H,6,9-10,13-14H2,1-4H3/t16-,17+,18+,19-,20-,28-/m1/s1
InChIKey	CIJPAAZDTJIEKF-SFKJIYBCSA-N
Molecular Weight	442.633 g/mol
SMILES	N(S(C(C)(C)C)(=O)=O)[C@@]1([C@]([C@@]([C@@]2([C@]1(CCCCC2)[H])[H])([S@](=NC)(=O)c1ccccc1)[H])(O)[H])[H]
SPLASH	splash10-0aor-2900000000-68c0a386ab4952fba81b
Source of Spectrum	U1-2011-6001-20
Wiley ID	1688781