methyl 3-[2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(N-methylsulfonyl-4-propoxy-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(N-methylsulfonyl-4-propoxyanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(N-methylsulfonyl-4-propoxyanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-mesyl-4-propoxy-anilino)acetyl]amino]benzoic acid methyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O6S/c1-4-12-28-18-10-8-17(9-11-18)22(29(3,25)26)14-19(23)21-16-7-5-6-15(13-16)20(24)27-2/h5-11,13H,4,12,14H2,1-3H3,(H,21,23)