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

Systemtic Name: dimethyl 2-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(N-methylsulfonyl-4-phenoxy-anilino)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(N-methylsulfonyl-4-phenoxyanilino)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(N-mesyl-4-phenoxy-anilino)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C25H24N2O8S MolecularWeight: 512.53166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C25H24N2O8S/c1-33-24(29)17-9-14-21(25(30)34-2)22(15-17)26-23(28)16-27(36(3,31)32)18-10-12-20(13-11-18)35-19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,26,28)