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

Systemtic Name: dimethyl 5-[2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-ethyl-amino]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-ethyl-amino]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-ethyl-amino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H25ClN2O8S MolecularWeight: 512.9605

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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)OCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O8S/c1-5-25(34(29,30)17-7-8-19(33-6-2)18(23)12-17)13-20(26)24-16-10-14(21(27)31-3)9-15(11-16)22(28)32-4/h7-12H,5-6,13H2,1-4H3,(H,24,26)