dimethyl 5-[2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(3-ethoxy-N-methylsulfonyl-anilino)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(3-ethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(3-ethoxy-N-mesyl-anilino)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H24N2O8S MolecularWeight: 464.48886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N(CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)N(CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O8S/c1-5-31-18-8-6-7-17(12-18)23(32(4,27)28)13-19(24)22-16-10-14(20(25)29-2)9-15(11-16)21(26)30-3/h6-12H,5,13H2,1-4H3,(H,22,24)