(3-cyanophenyl)methyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: (3-cyanophenyl)methyl 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: (3-cyanophenyl)methyl 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid (3-cyanobenzyl) ester Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-14-6-8-17(9-7-14)25(22,23)20(2)12-18(21)24-13-16-5-3-4-15(10-16)11-19/h3-10H,12-13H2,1-2H3