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Benzenepropanamide, N-(5-methyl-3-isoxazolyl)-.beta.-[[methyl(phenylsulfonyl)amino]methyl]-
SpectraBase Compound ID 614RzvXGuCQ
InChI InChI=1S/C21H23N3O4S/c1-16-13-20(23-28-16)22-21(25)14-18(17-9-5-3-6-10-17)15-24(2)29(26,27)19-11-7-4-8-12-19/h3-13,18H,14-15H2,1-2H3,(H,22,23,25)
InChIKey UQJOWWRFGXPRSO-UHFFFAOYSA-N
Mol Weight 413.49 g/mol
Molecular Formula C21H23N3O4S
Exact Mass 413.140927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8EL0U2he2f8
Name Benzenepropanamide, N-(5-methyl-3-isoxazolyl)-.beta.-[[methyl(phenylsulfonyl)amino]methyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O4S
InChI InChI=1S/C21H23N3O4S/c1-16-13-20(23-28-16)22-21(25)14-18(17-9-5-3-6-10-17)15-24(2)29(26,27)19-11-7-4-8-12-19/h3-13,18H,14-15H2,1-2H3,(H,22,23,25)
InChIKey UQJOWWRFGXPRSO-UHFFFAOYSA-N
Molecular Weight 413.492 g/mol
SMILES N(c1noc(c1)C)C(CC(CN(S(=O)(=O)c1ccccc1)C)c1ccccc1)=O
SPLASH splash10-003u-7900000000-ded5916f2dd06b11e60b
Source of Spectrum IY-1-4602-5
Synonyms 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-3-isoxazolyl)-3-phenylbutanamide 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylbutanamide 4-[benzenesulfonyl(methyl)amino]-N-(5-methylisoxazol-3-yl)-3-phenyl-butanamide N-(5-methyl-1,2-oxazol-3-yl)-4-[methyl(phenylsulfonyl)amino]-3-phenyl-butanamide
Wiley ID 1654008