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N-(1-adamantyl)-2-[4-chloro(phenylsulfonyl)anilino]acetamide

View entire compound with spectra: 2 NMR

N-(1-adamantyl)-2-[4-chloro(phenylsulfonyl)anilino]acetamide
SpectraBase Compound ID BsdFQln7BEF
InChI InChI=1S/C24H27ClN2O3S/c25-20-6-8-21(9-7-20)27(31(29,30)22-4-2-1-3-5-22)16-23(28)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h1-9,17-19H,10-16H2,(H,26,28)/t17-,18+,19-,24-
InChIKey YGZTZFHPMDKSPT-PCFUMONKSA-N
Mol Weight 459.0 g/mol
Molecular Formula C24H27ClN2O3S
Exact Mass 458.143092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2RMVRfLeDX
Name N-(1-Adamantyl)-2-[4-chloro(phenylsulfonyl)anilino]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 458.143091608 u
Formula C24H27ClN2O3S
InChI InChI=1S/C24H27ClN2O3S/c25-20-6-8-21(9-7-20)27(31(29,30)22-4-2-1-3-5-22)16-23(28)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h1-9,17-19H,10-16H2,(H,26,28)/t17-,18+,19-,24-
InChIKey YGZTZFHPMDKSPT-PCFUMONKSA-N
Molecular Weight 459.004 g/mol
SMILES N(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(CN(S(=O)(=O)C=1C=CC=CC1)C=1C=CC(=CC1)Cl)=O