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N-[3-[(benzylamino)-phenyl-thiophosphoryl]oxypropyl]-4-nitro-benzenesulfonamide

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N-[3-[(benzylamino)-phenyl-thiophosphoryl]oxypropyl]-4-nitro-benzenesulfonamide
SpectraBase Compound ID LCZXocIoSA7
InChI InChI=1S/C22H24N3O5PS2/c26-25(27)20-12-14-22(15-13-20)33(28,29)24-16-7-17-30-31(32,21-10-5-2-6-11-21)23-18-19-8-3-1-4-9-19/h1-6,8-15,24H,7,16-18H2,(H,23,32)
InChIKey FMCKCJSBZXIPFN-UHFFFAOYSA-N
Mol Weight 505.54 g/mol
Molecular Formula C22H24N3O5PS2
Exact Mass 505.0895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RV69uImanJ
Name N-[3-[(Benzylamino)-phenyl-thiophosphoryl]oxypropyl]-4-nitro-benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 505.089500226 u
Formula C22H24N3O5PS2
InChI InChI=1S/C22H24N3O5PS2/c26-25(27)20-12-14-22(15-13-20)33(28,29)24-16-7-17-30-31(32,21-10-5-2-6-11-21)23-18-19-8-3-1-4-9-19/h1-6,8-15,24H,7,16-18H2,(H,23,32)
InChIKey FMCKCJSBZXIPFN-UHFFFAOYSA-N
Molecular Weight 505.544 g/mol
SMILES C(NP(=S)(OCCCNS(=O)(=O)C1=CC=C(C=C1)N(=O)=O)C1=CC=CC=C1)C1=CC=CC=C1