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

Systemtic Name: methyl 4-[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2-methyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(N-mesyl-2-methyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C18H20N2O5S/c1-13-6-4-5-7-16(13)20(26(3,23)24)12-17(21)19-15-10-8-14(9-11-15)18(22)25-2/h4-11H,12H2,1-3H3,(H,19,21)