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

Systemtic Name: dimethyl 5-[2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[N-(p-tolylsulfonyl)anilino]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(N-tosylanilino)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O7S/c1-17-9-11-22(12-10-17)35(31,32)27(21-7-5-4-6-8-21)16-23(28)26-20-14-18(24(29)33-2)13-19(15-20)25(30)34-3/h4-15H,16H2,1-3H3,(H,26,28)