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(2S,3R,4S)-1-(4-methylphenyl)sulfonyl-N,2-bis(phenylmethyl)-4-prop-1-en-2-yl-piperidin-3-amine
SpectraBase Compound ID CLQIpvxsdBM
InChI InChI=1S/C29H34N2O2S/c1-22(2)27-18-19-31(34(32,33)26-16-14-23(3)15-17-26)28(20-24-10-6-4-7-11-24)29(27)30-21-25-12-8-5-9-13-25/h4-17,27-30H,1,18-21H2,2-3H3/t27-,28-,29+/m0/s1
InChIKey KBAGLLHUUMXSAI-YTCPBCGMSA-N
Mol Weight 474.7 g/mol
Molecular Formula C29H34N2O2S
Exact Mass 474.2341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59qpBWk1KGT
Name (2S,3R,4S)-1-(4-methylphenyl)sulfonyl-N,2-bis(phenylmethyl)-4-prop-1-en-2-yl-piperidin-3-amine
Alternate Name(s) (2S,3R,4S)-4-(1-methylethenyl)-1-(4-methylphenyl)sulfonyl-N,2-bis(phenylmethyl)-3-piperidinamine (2S,3R,4S)-N,2-dibenzyl-1-(4-methylphenyl)sulfonyl-4-prop-1-en-2-ylpiperidin-3-amine (2S,3R,4S)-N,2-dibenzyl-4-isopropenyl-1-(p-tolylsulfonyl)piperidin-3-amine benzyl-[(2S,3R,4S)-2-benzyl-4-isopropenyl-1-tosyl-3-piperidyl]amine
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Formula C29H34N2O2S
InChI InChI=1S/C29H34N2O2S/c1-22(2)27-18-19-31(34(32,33)26-16-14-23(3)15-17-26)28(20-24-10-6-4-7-11-24)29(27)30-21-25-12-8-5-9-13-25/h4-17,27-30H,1,18-21H2,2-3H3/t27-,28-,29+/m0/s1
InChIKey KBAGLLHUUMXSAI-YTCPBCGMSA-N
Molecular Weight 474.663 g/mol
SMILES N([C@]1([C@@](N(S(c2ccc(cc2)C)(=O)=O)CC[C@]1(C(=C)C)[H])(Cc1ccccc1)[H])[H])Cc1ccccc1
SPLASH splash10-0gvo-7293100000-efea5525e93e9aec09c7
Source of Spectrum J-61-2838-22
Wiley ID 1393969