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

Systemtic Name: methyl 3-[2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-[[2-(N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-tosylanilino)acetyl]amino]benzoic acid methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5S/c1-17-11-13-21(14-12-17)31(28,29)25(20-9-4-3-5-10-20)16-22(26)24-19-8-6-7-18(15-19)23(27)30-2/h3-15H,16H2,1-2H3,(H,24,26)