dimethyl 5-[3-(4-methylphenyl)sulfonylpropanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(4-methylphenyl)sulfonylpropanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-(p-tolylsulfonyl)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(4-methylphenyl)sulfonylpropanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(3-tosylpropanoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7S/c1-13-4-6-17(7-5-13)29(25,26)9-8-18(22)21-16-11-14(19(23)27-2)10-15(12-16)20(24)28-3/h4-7,10-12H,8-9H2,1-3H3,(H,21,22)