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N-(4-{[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl}phenyl)acetamide
SpectraBase Compound ID Dir1qmXatZC
InChI InChI=1S/C20H25N3O4S/c1-3-27-20-7-5-4-6-19(20)22-12-14-23(15-13-22)28(25,26)18-10-8-17(9-11-18)21-16(2)24/h4-11H,3,12-15H2,1-2H3,(H,21,24)
InChIKey DMWCZRABNKNUEP-UHFFFAOYSA-N
Mol Weight 403.5 g/mol
Molecular Formula C20H25N3O4S
Exact Mass 403.156577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 147p3RyHYLk
Name N-(4-{[4-(2-Ethoxyphenyl)-1-piperazinyl]sulfonyl}phenyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 403.156577467 u
Formula C20H25N3O4S
InChI InChI=1S/C20H25N3O4S/c1-3-27-20-7-5-4-6-19(20)22-12-14-23(15-13-22)28(25,26)18-10-8-17(9-11-18)21-16(2)24/h4-11H,3,12-15H2,1-2H3,(H,21,24)
InChIKey DMWCZRABNKNUEP-UHFFFAOYSA-N
Molecular Weight 403.497 g/mol
SMILES N(C(=O)C)C=1C=CC(S(N2CCN(CC2)C2=C(OCC)C=CC=C2)(=O)=O)=CC1