(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chlorophenyl)sulfonylamino]propanoic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chlorophenyl)sulfonylamino]propionic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C21H24ClNO5S/c1-13-10-14(2)21(16(4)24)15(3)19(13)12-28-20(25)8-9-23-29(26,27)18-7-5-6-17(22)11-18/h5-7,10-11,23H,8-9,12H2,1-4H3