phenacyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

Systemtic Name: phenacyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate Openeye Name: phenacyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propionic acid phenacyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C21H25NO5S/c1-14-12-15(2)17(4)21(16(14)3)28(25,26)22-11-10-20(24)27-13-19(23)18-8-6-5-7-9-18/h5-9,12,22H,10-11,13H2,1-4H3