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

Systemtic Name: (4-cyanophenyl)methyl 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: (4-cyanophenyl)methyl 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic acid (4-cyanobenzyl) ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)OCC2=CC=C(C=C2)C#N)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)OCC2=CC=C(C=C2)C#N)S(=O)(=O)C

InChI

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