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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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