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

Systemtic Name: methyl 3-[2-[(2,6-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(2,6-dimethyl-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(2,6-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(N-mesyl-2,6-dimethyl-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)S(=O)(=O)C

InChI

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