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

Systemtic Name: methyl 3-[2-[(2-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[2-chloro-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-[[2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(2-chloro-N-tosyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C23H21ClN2O5S MolecularWeight: 472.94124

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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=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC(=C2)C(=O)OC)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H21ClN2O5S/c1-16-10-12-19(13-11-16)32(29,30)26(21-9-4-3-8-20(21)24)15-22(27)25-18-7-5-6-17(14-18)23(28)31-2/h3-14H,15H2,1-2H3,(H,25,27)