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

Systemtic Name: methyl 3-[2-[(2-ethylphenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(2-ethyl-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(2-ethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(2-ethyl-N-mesyl-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O5S/c1-5-15-8-6-7-9-18(15)22(28(4,25)26)13-19(23)21-17-12-16(20(24)27-3)11-10-14(17)2/h6-12H,5,13H2,1-4H3,(H,21,23)