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4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide

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4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide
SpectraBase Compound ID 4FtBZqOTRua
InChI InChI=1S/C20H23N3O5S/c1-15-2-5-17(6-3-15)29(25,26)21-20(24)23-10-8-22(9-11-23)13-16-4-7-18-19(12-16)28-14-27-18/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)
InChIKey LKVKKUJBJKPLFV-UHFFFAOYSA-N
Mol Weight 417.48 g/mol
Molecular Formula C20H23N3O5S
Exact Mass 417.135842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7mDOhXskerm
Name 4-(1,3-Benzodioxol-5-ylmethyl)-N-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.135842022 u
Formula C20H23N3O5S
InChI InChI=1S/C20H23N3O5S/c1-15-2-5-17(6-3-15)29(25,26)21-20(24)23-10-8-22(9-11-23)13-16-4-7-18-19(12-16)28-14-27-18/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)
InChIKey LKVKKUJBJKPLFV-UHFFFAOYSA-N
Molecular Weight 417.480 g/mol
SMILES CC1=CC=C(S(NC(N2CCN(CC2)CC2=CC=3OCOC3C=C2)=O)(=O)=O)C=C1