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N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide

View entire compound with spectra: 2 NMR

N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide
SpectraBase Compound ID Ji3R9SEcPm0
InChI InChI=1S/C20H26N2O4S/c1-16-5-8-18(9-6-16)27(23,24)22(12-4-11-21(2)3)14-17-7-10-19-20(13-17)26-15-25-19/h5-10,13H,4,11-12,14-15H2,1-3H3
InChIKey ODJQMJRKQSIZRG-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C20H26N2O4S
Exact Mass 390.161328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L84L4yVN1AA
Name N-(1,3-Benzodioxol-5-ylmethyl)-N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.161328495 u
Formula C20H26N2O4S
InChI InChI=1S/C20H26N2O4S/c1-16-5-8-18(9-6-16)27(23,24)22(12-4-11-21(2)3)14-17-7-10-19-20(13-17)26-15-25-19/h5-10,13H,4,11-12,14-15H2,1-3H3
InChIKey ODJQMJRKQSIZRG-UHFFFAOYSA-N
Molecular Weight 390.498 g/mol
SMILES CC1=CC=C(S(N(CC=2C=C3OCOC3=CC2)CCCN(C)C)(=O)=O)C=C1