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6-HYDROXY-4-METHOXY-N-(2-METHYL-PHENYL)-5-[3-[(2-METHYL-PHENYL)-AMINO]-1-OXO-2-BUTENYL]-7-BENZOFURAN-SULFONAMIDE
SpectraBase Compound ID 3dFWdDGlyuM
InChI InChI=1S/C27H26N2O6S/c1-16-9-5-7-11-20(16)28-18(3)15-22(30)23-24(31)27(26-19(13-14-35-26)25(23)34-4)36(32,33)29-21-12-8-6-10-17(21)2/h5-15,28-29,31H,1-4H3/b18-15+
InChIKey BWWIKZUXOBMWMB-OBGWFSINSA-N
Mol Weight 506.57 g/mol
Molecular Formula C27H26N2O6S
Exact Mass 506.151158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzeaIEXVBk4
Name 7-Benzofuransulfonamide, 6-hydroxy-4-methoxy-N-(2-methylphenyl)-5-[3-[(2-methylphenyl)amino]-1-oxo-2-butenyl]-, (Z)-
CAS Registry Number 112649-25-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26N2O6S
InChI InChI=1S/C27H26N2O6S/c1-16-9-5-7-11-20(16)28-18(3)15-22(30)23-24(31)27(26-19(13-14-35-26)25(23)34-4)36(32,33)29-21-12-8-6-10-17(21)2/h5-15,28-29,31H,1-4H3/b18-15+
InChIKey BWWIKZUXOBMWMB-OBGWFSINSA-N
Molecular Weight 506.573 g/mol
SMILES Oc1c(C(\C=C\(Nc2c(C)cccc2)C)=O)c(c2c(c1S(Nc1c(C)cccc1)(=O)=O)occ2)OC
SPLASH splash10-0a4i-0900000000-2ed73b756297ff958ea0
Source of Spectrum Y-24-724-4
Synonyms 6-Hydroxy-4-methoxy-N-(2-methylphenyl)-5-[(2E)-3-(2-toluidino)-2-butenoyl]-1-benzofuran-7-sulfonamide 6-Hydroxy-4-methoxy-N-(2-methylphenyl)-5-{3-[(2-methylphenyl)amino]-1-oxo-2-butenyl}-7-benzofuransulfonamide
Wiley ID 1399833