(2,6-dimethylphenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: (2,6-dimethylphenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: (2,6-dimethylphenyl) 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid (2,6-dimethylphenyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-16-4-3-5-17(2)21(16)27-20(23)11-8-18-6-9-19(10-7-18)28(24,25)22-12-14-26-15-13-22/h3-7,9-10H,8,11-15H2,1-2H3