methyl 3-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: methyl 3-[2-(4-methyl-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 3-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-methyl-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 3-[2-(N-mesyl-4-methyl-anilino)propanoylamino]benzoic acid methyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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