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

Systemtic Name: methyl 3-[2-[(3-methylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[3-methyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(3-methyl-N-tosyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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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=CC=CC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O5S/c1-17-10-12-22(13-11-17)32(29,30)26(21-9-4-6-18(2)14-21)16-23(27)25-20-8-5-7-19(15-20)24(28)31-3/h4-15H,16H2,1-3H3,(H,25,27)