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Bumethanide tetra-methyl derivative
SpectraBase Compound ID 1J2mYUXgCsH
InChI InChI=1S/C21H28N2O5S/c1-6-7-13-23(4)18-14-16(21(24)27-5)15-19(29(25,26)22(2)3)20(18)28-17-11-9-8-10-12-17/h8-12,14-15H,6-7,13H2,1-5H3
InChIKey SMRUZUGFZFYQQQ-UHFFFAOYSA-N
Mol Weight 420.52 g/mol
Molecular Formula C21H28N2O5S
Exact Mass 420.171893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7VeEEv0yKF
Name Bumethanide tetra-methyl derivative
Alternate Name(s) Methyl 3-[butyl(methyl)amino]-5-[(dimethylamino)sulfonyl]-4-phenoxybenzoate 3-[butyl(methyl)amino]-5-(dimethylsulfamoyl)-4-phenoxybenzoic acid methyl ester Methyl 3-[butyl(methyl)amino]-5-(dimethylsulfamoyl)-4-phenoxybenzoate Methyl 3-[butyl(methyl)amino]-5-(dimethylsulfamoyl)-4-phenoxy-benzoate
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Formula C21H28N2O5S
InChI InChI=1S/C21H28N2O5S/c1-6-7-13-23(4)18-14-16(21(24)27-5)15-19(29(25,26)22(2)3)20(18)28-17-11-9-8-10-12-17/h8-12,14-15H,6-7,13H2,1-5H3
InChIKey SMRUZUGFZFYQQQ-UHFFFAOYSA-N
Molecular Weight 420.524 g/mol
SMILES C(CCN(c1cc(cc(c1Oc1ccccc1)S(N(C)C)(=O)=O)C(OC)=O)C)C
SPLASH splash10-0a6r-9512100000-1b885e029bfb1a50efe0
Source of Spectrum JH-1982-109-0
Wiley ID 1377876