(4-cyanophenyl)methyl 2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethanoylamino]ethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethanoylamino]ethanoate Openeye Name: (4-cyanophenyl)methyl 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetate CAS Name: 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]-1-oxoethyl]amino]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetate Traditional Name: 2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]acetic acid (4-cyanobenzyl) ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-14-3-8-18(9-15(14)2)29(26,27)23-11-19(24)22-12-20(25)28-13-17-6-4-16(10-21)5-7-17/h3-9,23H,11-13H2,1-2H3,(H,22,24)