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

Systemtic Name: methyl 4-methyl-3-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[2-(4-methyl-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 4-methyl-3-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[2-(4-methyl-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 3-[2-(N-mesyl-4-methyl-anilino)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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