dimethyl 2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[methyl(tosyl)amino]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-13-5-8-15(9-6-13)30(26,27)22(2)12-18(23)21-17-11-14(19(24)28-3)7-10-16(17)20(25)29-4/h5-11H,12H2,1-4H3,(H,21,23)