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Benzoic acid, 5-[[4-(hexyloxy)phenyl]amino]-2-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]-, ethyl ester

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Benzoic acid, 5-[[4-(hexyloxy)phenyl]amino]-2-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]-, ethyl ester
SpectraBase Compound ID CyQFlVGiQLZ
InChI InChI=1S/C36H50N2O5S/c1-9-11-12-13-20-43-30-17-14-28(15-18-30)37-29-16-19-34(33(23-29)36(39)42-10-2)38-44(40,41)35-31(25(5)6)21-27(24(3)4)22-32(35)26(7)8/h14-19,21-26,37-38H,9-13,20H2,1-8H3
InChIKey RAGVJNBXRUXZIJ-UHFFFAOYSA-N
Mol Weight 622.9 g/mol
Molecular Formula C36H50N2O5S
Exact Mass 622.344044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K5O8v2I4yIy
Name Benzoic acid, 5-[[4-(hexyloxy)phenyl]amino]-2-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 622.344043887 u
Formula C36H50N2O5S
InChI InChI=1S/C36H50N2O5S/c1-9-11-12-13-20-43-30-17-14-28(15-18-30)37-29-16-19-34(33(23-29)36(39)42-10-2)38-44(40,41)35-31(25(5)6)21-27(24(3)4)22-32(35)26(7)8/h14-19,21-26,37-38H,9-13,20H2,1-8H3
InChIKey RAGVJNBXRUXZIJ-UHFFFAOYSA-N
Molecular Weight 622.865 g/mol
SMILES CCCCCCOC1=CC=C(NC2=CC(=C(NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C)C=C2)C(=O)OCC)C=C1