(4-cyanophenyl)methyl (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: (4-cyanophenyl)methyl (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: (4-cyanophenyl)methyl (2R)-4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: (2R)-4-methyl-2-(tosylamino)valeric acid (4-cyanobenzyl) ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC(C)C)C(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H24N2O4S/c1-15(2)12-20(23-28(25,26)19-10-4-16(3)5-11-19)21(24)27-14-18-8-6-17(13-22)7-9-18/h4-11,15,20,23H,12,14H2,1-3H3/t20-/m1/s1