dimethyl 5-[2-[ethyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[ethyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[ethyl(p-tolylsulfonyl)amino]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[ethyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[ethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[ethyl(tosyl)amino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCN(CC(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H24N2O7S/c1-5-23(31(27,28)18-8-6-14(2)7-9-18)13-19(24)22-17-11-15(20(25)29-3)10-16(12-17)21(26)30-4/h6-12H,5,13H2,1-4H3,(H,22,24)