(3-morpholin-4-ylsulfonylphenyl)methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

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