ethyl 4-methyl-3-[2-[methylsulfonyl(phenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 4-methyl-3-[2-[methylsulfonyl(phenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-methyl-3-[[2-(N-methylsulfonylanilino)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-(N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-[[2-(N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-mesylanilino)acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C19H22N2O5S/c1-4-26-19(23)15-11-10-14(2)17(12-15)20-18(22)13-21(27(3,24)25)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3,(H,20,22)