syn and Anti-methyl 2-[(diphenylmethylene)amino]-3-(4-methylphenylsulfonamide)-3-(p-trifluoromethylphenyl) propanoate

SpectraBase Compound ID	F2BfNXnPav6
InChI	InChI=1S/C31H27F3N2O4S/c1-21-13-19-26(20-14-21)41(38,39)36-28(24-15-17-25(18-16-24)31(32,33)34)29(30(37)40-2)35-27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-20,28-29,36H,1-2H3
InChIKey	MHBUBRZPVJMPOQ-UHFFFAOYSA-N Google Search
Mol Weight	580.62 g/mol
Molecular Formula	C31H27F3N2O4S
Exact Mass	580.164363 g/mol

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SpectraBase Spectrum ID	8ZAk8Fh1ReM
Name	syn and Anti-methyl 2-[(diphenylmethylene)amino]-3-(4-methylphenylsulfonamide)-3-(p-trifluoromethylphenyl) propanoate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	580.164363016 u
Formula	C31H27F3N2O4S
InChI	InChI=1S/C31H27F3N2O4S/c1-21-13-19-26(20-14-21)41(38,39)36-28(24-15-17-25(18-16-24)31(32,33)34)29(30(37)40-2)35-27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-20,28-29,36H,1-2H3
InChIKey	MHBUBRZPVJMPOQ-UHFFFAOYSA-N
Molecular Weight	580.622 g/mol
SMILES	C(NS(C1=CC=C(C=C1)C)(=O)=O)(C(N=C(C1=CC=CC=C1)C=1C=CC=CC1)C(=O)OC)C=1C=CC(C(F)(F)F)=CC1