dimethyl 5-[2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(N-methylsulfonyl-4-propoxy-anilino)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(N-methylsulfonyl-4-propoxyanilino)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(N-methylsulfonyl-4-propoxyanilino)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(N-mesyl-4-propoxy-anilino)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H26N2O8S MolecularWeight: 478.51544

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C22H26N2O8S/c1-5-10-32-19-8-6-18(7-9-19)24(33(4,28)29)14-20(25)23-17-12-15(21(26)30-2)11-16(13-17)22(27)31-3/h6-9,11-13H,5,10,14H2,1-4H3,(H,23,25)