(4-cyanophenyl)methyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

Systemtic Name: (4-cyanophenyl)methyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate Openeye Name: (4-cyanophenyl)methyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propionic acid (4-cyanobenzyl) ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)C#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)C#N)C)C

InChI

InChI=1S/C21H24N2O4S/c1-14-11-15(2)17(4)21(16(14)3)28(25,26)23-10-9-20(24)27-13-19-7-5-18(12-22)6-8-19/h5-8,11,23H,9-10,13H2,1-4H3