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2-Pyrrolidinecarboxamide, 1-[[4-(acetylamino)phenyl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-
SpectraBase Compound ID FHnfwMkHsD3
InChI InChI=1S/C21H23N3O6S/c1-14(25)22-15-4-7-17(8-5-15)31(27,28)24-10-2-3-18(24)21(26)23-16-6-9-19-20(13-16)30-12-11-29-19/h4-9,13,18H,2-3,10-12H2,1H3,(H,22,25)(H,23,26)
InChIKey KDJZEAYXXGMXNW-UHFFFAOYSA-N
Mol Weight 445.49 g/mol
Molecular Formula C21H23N3O6S
Exact Mass 445.130757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQmKlWl2yqj
Name 2-Pyrrolidinecarboxamide, 1-[[4-(acetylamino)phenyl]sulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-
Alternate Name(s) 1-(4-acetamidophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidinecarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O6S
InChI InChI=1S/C21H23N3O6S/c1-14(25)22-15-4-7-17(8-5-15)31(27,28)24-10-2-3-18(24)21(26)23-16-6-9-19-20(13-16)30-12-11-29-19/h4-9,13,18H,2-3,10-12H2,1H3,(H,22,25)(H,23,26)
InChIKey KDJZEAYXXGMXNW-UHFFFAOYSA-N
Molecular Weight 445.490 g/mol
SMILES N(C(C1CCCN1S(c1ccc(cc1)NC(=O)C)(=O)=O)=O)c1ccc2c(c1)OCCO2
SPLASH splash10-006x-9200000000-f6ce91c98e40bc4f2a37
Source of Spectrum IY-1-4677-7
Wiley ID 1654760