(2-cyanophenyl)methyl 3-[(4-tert-butylphenyl)sulfonylamino]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C21H24N2O4S/c1-21(2,3)18-8-10-19(11-9-18)28(25,26)23-13-12-20(24)27-15-17-7-5-4-6-16(17)14-22/h4-11,23H,12-13,15H2,1-3H3