(2,5-dimethylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: (2,5-dimethylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: (2,5-dimethylphenyl)methyl 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid (2,5-dimethylbenzyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H27NO5S/c1-17-3-4-18(2)20(15-17)16-28-22(24)10-7-19-5-8-21(9-6-19)29(25,26)23-11-13-27-14-12-23/h3-6,8-9,15H,7,10-14,16H2,1-2H3