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2-[(4-chlorobenzyl)(phenylsulfonyl)amino]-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID CnRzSLp3SGq
InChI InChI=1S/C22H21ClN2O4S/c1-29-20-13-11-19(12-14-20)24-22(26)16-25(15-17-7-9-18(23)10-8-17)30(27,28)21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,24,26)
InChIKey PJGJVCZJYVJMII-UHFFFAOYSA-N
Mol Weight 444.93 g/mol
Molecular Formula C22H21ClN2O4S
Exact Mass 444.091056 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JD01Pcoq2zq
Name 2-[(4-Chlorobenzyl)(phenylsulfonyl)amino]-N-(4-methoxyphenyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 444.091056034 u
Formula C22H21ClN2O4S
InChI InChI=1S/C22H21ClN2O4S/c1-29-20-13-11-19(12-14-20)24-22(26)16-25(15-17-7-9-18(23)10-8-17)30(27,28)21-5-3-2-4-6-21/h2-14H,15-16H2,1H3,(H,24,26)
InChIKey PJGJVCZJYVJMII-UHFFFAOYSA-N
Molecular Weight 444.933 g/mol
SMILES N(C(CN(CC1=CC=C(C=C1)Cl)S(=O)(=O)C=1C=CC=CC1)=O)C1=CC=C(C=C1)OC