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

Systemtic Name: dimethyl 2-[2-[(4-methylphenyl)sulfonyl-(4-phenoxyphenyl)amino]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[4-phenoxy-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(4-phenoxy-N-tosyl-anilino)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C31H28N2O8S MolecularWeight: 588.62762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C31H28N2O8S/c1-21-9-16-26(17-10-21)42(37,38)33(23-12-14-25(15-13-23)41-24-7-5-4-6-8-24)20-29(34)32-28-19-22(30(35)39-2)11-18-27(28)31(36)40-3/h4-19H,20H2,1-3H3,(H,32,34)