ethyl 3-methyl-4-[2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-methyl-4-[2-[methylsulfonyl-(2,4,6-trimethylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-methyl-4-[[2-(2,4,6-trimethyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-methyl-4-[[1-oxo-2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(N-mesyl-2,4,6-trimethyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=C(C=C(C=C2C)C)C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=C(C=C(C=C2C)C)C)S(=O)(=O)C)C

InChI

InChI=1S/C22H28N2O5S/c1-7-29-22(26)18-8-9-19(15(3)12-18)23-20(25)13-24(30(6,27)28)21-16(4)10-14(2)11-17(21)5/h8-12H,7,13H2,1-6H3,(H,23,25)