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

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)OCC(=O)NC2=CC=C(C=C2)C#N)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)OCC(=O)NC2=CC=C(C=C2)C#N)S(=O)(=O)C

InChI

InChI=1S/C19H19N3O5S/c1-14-5-3-4-6-17(14)22(28(2,25)26)12-19(24)27-13-18(23)21-16-9-7-15(11-20)8-10-16/h3-10H,12-13H2,1-2H3,(H,21,23)