(4-cyanophenyl)methyl (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (4-cyanophenyl)methyl (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (4-cyanophenyl)methyl (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butyric acid (4-cyanobenzyl) ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-14(2)20(21(24)27-13-18-8-6-17(12-22)7-9-18)23-28(25,26)19-10-5-15(3)16(4)11-19/h5-11,14,20,23H,13H2,1-4H3/t20-/m1/s1