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N-[2-(1H-indol-3-yl)ethyl]-4-(4-morpholinylsulfonyl)benzenesulfonamide

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N-[2-(1H-indol-3-yl)ethyl]-4-(4-morpholinylsulfonyl)benzenesulfonamide
SpectraBase Compound ID 9OtXB20rvBY
InChI InChI=1S/C20H23N3O5S2/c24-29(25,22-10-9-16-15-21-20-4-2-1-3-19(16)20)17-5-7-18(8-6-17)30(26,27)23-11-13-28-14-12-23/h1-8,15,21-22H,9-14H2
InChIKey KHZXDZUEOGYJSA-UHFFFAOYSA-N
Mol Weight 449.54 g/mol
Molecular Formula C20H23N3O5S2
Exact Mass 449.107913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CcLYdbYb53
Name N-[2-(1H-Indol-3-yl)ethyl]-4-(4-morpholinylsulfonyl)benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.107913196 u
Formula C20H23N3O5S2
InChI InChI=1S/C20H23N3O5S2/c24-29(25,22-10-9-16-15-21-20-4-2-1-3-19(16)20)17-5-7-18(8-6-17)30(26,27)23-11-13-28-14-12-23/h1-8,15,21-22H,9-14H2
InChIKey KHZXDZUEOGYJSA-UHFFFAOYSA-N
Molecular Weight 449.540 g/mol
SMILES C=1C=CC=2C(=CNC2C1)CCNS(C=1C=CC(S(N2CCOCC2)(=O)=O)=CC1)(=O)=O