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methanesulfonamide, N-(3-chlorophenyl)-N-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]-
SpectraBase Compound ID DAl5r199zze
InChI InChI=1S/C26H28ClN3O3S/c1-34(32,33)30(24-14-8-13-23(27)19-24)20-25(31)28-15-17-29(18-16-28)26(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,26H,15-18,20H2,1H3
InChIKey XMYISPHRCVHWGI-UHFFFAOYSA-N
Mol Weight 498.04 g/mol
Molecular Formula C26H28ClN3O3S
Exact Mass 497.153991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtRH6tQAzcZ
Name Methanesulfonamide, N-(3-chlorophenyl)-N-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]-
Comments Computed using HOSE algorithm
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Exact Mass 497.153990645 u
Formula C26H28ClN3O3S
InChI InChI=1S/C26H28ClN3O3S/c1-34(32,33)30(24-14-8-13-23(27)19-24)20-25(31)28-15-17-29(18-16-28)26(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,19,26H,15-18,20H2,1H3
InChIKey XMYISPHRCVHWGI-UHFFFAOYSA-N
Molecular Weight 498.041 g/mol
SMILES C=1C=CC(C(N2CCN(C(CN(S(=O)(=O)C)C=3C=C(Cl)C=CC3)=O)CC2)C=2C=CC=CC2)=CC1