methyl 3-[2-[(2,4-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(2,4-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[2,4-dimethyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-[[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(2,4-dimethyl-N-tosyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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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)C3=C(C=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5S/c1-17-8-11-22(12-9-17)33(30,31)27(23-13-10-18(2)14-19(23)3)16-24(28)26-21-7-5-6-20(15-21)25(29)32-4/h5-15H,16H2,1-4H3,(H,26,28)