(4-methylsulfanylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [4-(methylthio)benzyl] ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H25NO5S2/c1-28-19-7-2-18(3-8-19)16-27-21(23)11-6-17-4-9-20(10-5-17)29(24,25)22-12-14-26-15-13-22/h2-5,7-10H,6,11-16H2,1H3