methyl 2-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-3-morpholin-4-yl-2-oxidanyl-propanoate

Systemtic Name: methyl 2-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-3-morpholin-4-yl-2-oxidanyl-propanoate Openeye Name: methyl 2-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-2-hydroxy-3-morpholino-propanoate CAS Name: 2-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-2-hydroxy-3-(4-morpholinyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-2-hydroxy-3-morpholin-4-ylpropanoate Traditional Name: 2-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-2-hydroxy-3-morpholino-propionic acid methyl ester Formula: C23H29NO7S MolecularWeight: 463.54386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)CC(CN3CCOCC3)(C(=O)OC)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)CC(CN3CCOCC3)(C(=O)OC)O)C

InChI

InChI=1S/C23H29NO7S/c1-17-4-5-20(14-18(17)2)31-19-6-8-21(9-7-19)32(27,28)16-23(26,22(25)29-3)15-24-10-12-30-13-11-24/h4-9,14,26H,10-13,15-16H2,1-3H3