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

Systemtic Name: phenacyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: phenacyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid phenacyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H21NO5S/c1-14-8-9-15(2)18(12-14)26(23,24)20-11-10-19(22)25-13-17(21)16-6-4-3-5-7-16/h3-9,12,20H,10-11,13H2,1-2H3