phenacyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate

Systemtic Name: phenacyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate Openeye Name: phenacyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]propionic acid phenacyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-14-15(2)17(4)22(18(5)16(14)3)29(26,27)23-12-11-21(25)28-13-20(24)19-9-7-6-8-10-19/h6-10,23H,11-13H2,1-5H3