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3-(2-Chlorophenyl)-3-[(4-cyclohexylphenyl)sulfonylamino]propanoic acid ethyl ester
SpectraBase Compound ID B3Wz1Qxynxn
InChI InChI=1S/C23H28ClNO4S/c1-2-29-23(26)16-22(20-10-6-7-11-21(20)24)25-30(27,28)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h6-7,10-15,17,22,25H,2-5,8-9,16H2,1H3
InChIKey IIRBCJZKHMCNTM-UHFFFAOYSA-N
Mol Weight 449.99 g/mol
Molecular Formula C23H28ClNO4S
Exact Mass 449.142757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdVtWqALo2a
Name 3-(2-Chlorophenyl)-3-[(4-cyclohexylphenyl)sulfonylamino]propanoic acid ethyl ester
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Formula C23H28ClNO4S
InChI InChI=1S/C23H28ClNO4S/c1-2-29-23(26)16-22(20-10-6-7-11-21(20)24)25-30(27,28)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h6-7,10-15,17,22,25H,2-5,8-9,16H2,1H3
InChIKey IIRBCJZKHMCNTM-UHFFFAOYSA-N
Molecular Weight 449.993 g/mol
SMILES N(S(c1ccc(cc1)C1CCCCC1)(=O)=O)C(CC(=O)OCC)c1c(Cl)cccc1
SPLASH splash10-004i-7961000000-2bad94f13e6fa7f00075
Synonyms 3-(2-Chlorophenyl)-3-[(4-cyclohexylphenyl)sulfonylamino]propionic acid ethyl ester Ethyl 3-(2-chlorophenyl)-3-[(4-cyclohexylphenyl)sulfonylamino]propanoate
Wiley ID 1439314