dimethyl 2-[2-[(4-ethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(4-ethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(4-ethyl-N-methylsulfonyl-anilino)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(4-ethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(4-ethyl-N-mesyl-anilino)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C

InChI

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