methyl 3-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(2,5-dimethyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-mesyl-2,5-dimethyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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