(1S,2S)-1-[N-(2,4,6-Triisopropylphenylsulfonyl)amino]-2-[N-(2-hydroxy-3-methoxybenzylidene)amino]cyclohexane

SpectraBase Compound ID	1JTF8v3zJGn
InChI	InChI=1S/C29H42N2O4S/c1-18(2)22-15-23(19(3)4)29(24(16-22)20(5)6)36(33,34)31-26-13-9-8-12-25(26)30-17-21-11-10-14-27(35-7)28(21)32/h10-11,14-20,25-26,31-32H,8-9,12-13H2,1-7H3/b30-17+/t25-,26-/m0/s1
InChIKey	TZVGDOCSAJVRHX-JFHRRRGDSA-N Google Search
Mol Weight	514.7 g/mol
Molecular Formula	C29H42N2O4S
Exact Mass	514.286529 g/mol

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SpectraBase Spectrum ID	769ZuLVrj9r
Name	(1S,2S)-1-[N-(2,4,6-Triisopropylphenylsulfonyl)amino]-2-[N-(2-hydroxy-3-methoxybenzylidene)amino]cyclohexane
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	514.286529010 u
Formula	C29H42N2O4S
InChI	InChI=1S/C29H42N2O4S/c1-18(2)22-15-23(19(3)4)29(24(16-22)20(5)6)36(33,34)31-26-13-9-8-12-25(26)30-17-21-11-10-14-27(35-7)28(21)32/h10-11,14-20,25-26,31-32H,8-9,12-13H2,1-7H3/b30-17+/t25-,26-/m0/s1
InChIKey	TZVGDOCSAJVRHX-JFHRRRGDSA-N
Molecular Weight	514.725 g/mol
SMILES	C=1(S(N[C@@]2([C@@](\N=C\C=3C(=C(OC)C=CC3)O)(CCCC2)[H])[H])(=O)=O)C(=CC(=CC1C(C)C)C(C)C)C(C)C