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4-(4-(Benzo[D][1,3]dioxole-5-carbonyl)piperazin-1-yl)-N,N-dimethylbenzenesulfonamide

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4-(4-(Benzo[D][1,3]dioxole-5-carbonyl)piperazin-1-yl)-N,N-dimethylbenzenesulfonamide
SpectraBase Compound ID KFEEVZXbq0N
InChI InChI=1S/C20H23N3O5S/c1-21(2)29(25,26)17-6-4-16(5-7-17)22-9-11-23(12-10-22)20(24)15-3-8-18-19(13-15)28-14-27-18/h3-8,13H,9-12,14H2,1-2H3
InChIKey LWDUDZHSUJIRIF-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 2w4e3VJcTME
Name 4-(4-(Benzo[D][1,3]dioxole-5-carbonyl)piperazin-1-yl)-N,N-dimethylbenzenesulfonamide
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/c1-21(2)29(25,26)17-6-4-16(5-7-17)22-9-11-23(12-10-22)20(24)15-3-8-18-19(13-15)28-14-27-18/h3-8,13H,9-12,14H2,1-2H3
InChIKey LWDUDZHSUJIRIF-UHFFFAOYSA-N
Molecular Weight 417.480 g/mol
SMILES C1(=CC=C(C=C1)N1CCN(CC1)C(=O)C1=CC=C2OCOC2=C1)S(=O)(=O)N(C)C