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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H25NO7S2 MolecularWeight: 467.5557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO7S2/c1-17-5-7-19(8-6-17)30(24,25)14-9-21(23)29-16-18-3-2-4-20(15-18)31(26,27)22-10-12-28-13-11-22/h2-8,15H,9-14,16H2,1H3