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acetamide, 2-[(phenylmethyl)(phenylsulfonyl)amino]-N-(2-pyridinylmethyl)-
SpectraBase Compound ID 9X9y2D5u9vW
InChI InChI=1S/C21H21N3O3S/c25-21(23-15-19-11-7-8-14-22-19)17-24(16-18-9-3-1-4-10-18)28(26,27)20-12-5-2-6-13-20/h1-14H,15-17H2,(H,23,25)
InChIKey CLUZRCZBDBRKMR-UHFFFAOYSA-N
Mol Weight 395.48 g/mol
Molecular Formula C21H21N3O3S
Exact Mass 395.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcUb03itz4k
Name Acetamide, 2-[(phenylmethyl)(phenylsulfonyl)amino]-N-(2-pyridinylmethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 395.130362719 u
Formula C21H21N3O3S
InChI InChI=1S/C21H21N3O3S/c25-21(23-15-19-11-7-8-14-22-19)17-24(16-18-9-3-1-4-10-18)28(26,27)20-12-5-2-6-13-20/h1-14H,15-17H2,(H,23,25)
InChIKey CLUZRCZBDBRKMR-UHFFFAOYSA-N
Molecular Weight 395.477 g/mol
SMILES N(C(CN(S(=O)(=O)C1=CC=CC=C1)CC=1C=CC=CC1)=O)CC1=NC=CC=C1